data_2yqf_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 2yqf _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 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.454 ' HE2' ' N ' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' 1413 ' ' HIS . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.577 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.3 m170 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' 1413 ' ' HIS . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' 1416 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.536 ' CZ3' HD11 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.536 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' 1467 ' ' LEU . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 25.3 ttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1407 ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' 1406 ' ' LYS . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.571 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.572 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.8 m170 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.435 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.45 ' CD2' HD23 ' A' 1450 ' ' LEU . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' 1453 ' ' LEU . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1444 ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' 1443 ' ' LEU . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1450 ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' 1421 ' ' LEU . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' 1427 ' ' PHE . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.464 ' CD1' HD13 ' A' 1425 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' 1463 ' ' ASN . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.438 ' CE2' ' OE2' ' A' 1484 ' ' GLU . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.572 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' 1413 ' ' HIS . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.4 m170 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' 1418 ' ' TRP . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' 1416 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' 1419 ' ' ALA . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.449 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' 1453 ' ' LEU . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.463 HD23 ' CE1' ' A' 1427 ' ' PHE . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' 1425 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 16.3 m-80 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.557 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.431 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' 1467 ' ' LEU . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' 1416 ' ' LEU . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.453 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.412 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.418 ' CB ' HD22 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.442 ' CD1' ' CD1' ' A' 1425 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.507 ' HG3' ' CZ ' ' A' 1468 ' ' TYR . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' 1471 ' ' LEU . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.545 ' CD1' HG12 ' A' 1480 ' ' VAL . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' 1468 ' ' TYR . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.564 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1412 ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.584 ' CE1' ' SD ' ' A' 1482 ' ' MET . 2.8 m170 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.471 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.455 HD13 ' NE1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1444 ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' 1412 ' ' GLU . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.416 ' CB ' HD21 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' 1458 ' ' GLU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1458 ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' 1454 ' ' TRP . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.438 ' N ' ' HB3' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' OE2' ' A' 1424 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' 1477 ' ' GLY . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 5.1 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.453 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.498 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.41 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.462 ' CB ' HD21 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.498 HD21 ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1454 ' ' TRP . . . . . . . . . . . . . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' 1464 ' ' MET . 0.1 OUTLIER -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.586 ' N ' HD21 ' A' 1463 ' ' ASN . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1479 ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 38.1 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1407 ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' 1407 ' ' MET . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' 1413 ' ' HIS . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.575 ' CE1' ' CE ' ' A' 1482 ' ' MET . 4.8 m170 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1416 ' ' LEU . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.414 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.456 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.412 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 42.4 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.424 ' CB ' HD22 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.518 ' CD1' HD21 ' A' 1425 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.517 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.575 ' CE ' ' CE1' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1405 ' ' MET . . . . . 0.481 ' O ' ' CG2' ' A' 1409 ' ' VAL . 4.7 ttp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1410 ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' 1418 ' ' TRP . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' 1418 ' ' TRP . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.416 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1451 ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' 1467 ' ' LEU . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.467 ' CD1' HD13 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1457 ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1464 ' ' MET . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.521 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' A' 1464 ' ' MET . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' 1467 ' ' LEU . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1479 ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 11.9 tmm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.468 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1424 ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1432 ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1435 ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.408 ' CB ' HD21 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' 1464 ' ' MET . 0.2 OUTLIER -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.54 ' N ' HD21 ' A' 1463 ' ' ASN . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1467 ' ' LEU . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.435 ' CG ' HD12 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1479 ' ' ILE . . . . . 0.414 HG12 ' ND1' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.426 ' HE2' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' 1413 ' ' HIS . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' 1419 ' ' ALA . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.687 ' CD2' ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' 1446 ' ' GLN . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.687 ' CD1' ' CD2' ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1458 ' ' GLU . . . . . 0.433 ' CB ' ' HB1' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.597 ' CE2' ' CG ' ' A' 1464 ' ' MET . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' 1467 ' ' LEU . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.411 ' CG2' HD13 ' A' 1471 ' ' LEU . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1483 ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.0 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.561 ' CE1' HG12 ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' 1418 ' ' TRP . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.467 ' N ' ' HG ' ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1422 ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' 1450 ' ' LEU . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1424 ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1429 ' ' VAL . . . . . 0.596 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1432 ' ' ILE . . . . . 0.422 HG23 ' CH2' ' A' 1418 ' ' TRP . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.596 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1450 ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' 1422 ' ' ALA . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.501 ' CD1' HD22 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.498 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.471 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' 1467 ' ' LEU . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1483 ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 24.0 ttp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.595 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' 1413 ' ' HIS . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.498 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.405 HD23 ' NE1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.462 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' 1443 ' ' LEU . 41.8 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.547 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.524 ' CE2' ' CG ' ' A' 1464 ' ' MET . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1483 ' ' LEU . . . . . 0.468 ' N ' ' HG2' ' A' 1482 ' ' MET . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1405 ' ' MET . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' 1413 ' ' HIS . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.574 ' CE1' ' SD ' ' A' 1482 ' ' MET . 4.4 m170 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1429 ' ' VAL . . . . . 0.596 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.596 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 23.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.45 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' 1464 ' ' MET . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' 1467 ' ' LEU . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.666 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.666 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.5 m170 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.446 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1416 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1422 ' ' ALA . . . . . 0.456 ' CB ' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1429 ' ' VAL . . . . . 0.605 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1444 ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' 1443 ' ' LEU . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1450 ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.562 ' CD1' HD11 ' A' 1425 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.434 ' CG ' HD13 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1416 ' ' LEU . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' 1414 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1420 ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.526 HD11 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.413 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.526 ' CD1' HD11 ' A' 1425 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.461 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' 1467 ' ' LEU . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' 1468 ' ' TYR . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 31.6 ttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.345 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' 1413 ' ' HIS . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1410 ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' 1409 ' ' VAL . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1411 ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' 1418 ' ' TRP . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1424 ' ' GLU . . . . . 0.412 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1450 ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1451 ' ' LEU . . . . . 0.435 ' CD1' ' OG ' ' A' 1411 ' ' SER . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.572 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.519 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.546 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' 1467 ' ' LEU . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1479 ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.405 HG13 ' CG ' ' A' 1468 ' ' TYR . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1483 ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' 1413 ' ' HIS . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.569 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' 1425 ' ' LEU . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1429 ' ' VAL . . . . . 0.602 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1431 ' ' ASP . . . . . 0.45 ' OD2' ' CD2' ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.602 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 0.2 OUTLIER -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.45 ' CD2' ' OD2' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.554 ' CZ3' HD13 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.557 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.554 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1476 ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1479 ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.467 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.606 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.472 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.499 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.703 ' CD2' ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.46 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1437 ' ' VAL . . . . . 0.416 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.535 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' 1464 ' ' MET . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' 1467 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' 1471 ' ' LEU . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.448 ' OG ' ' CD1' ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1421 ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1422 ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1427 ' ' PHE . . . . . 0.414 ' CE1' HD21 ' A' 1453 ' ' LEU . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 30.7 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1447 ' ' SER . . . . . 0.471 ' CB ' HD22 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1450 ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' 1427 ' ' PHE . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1465 ' ' GLU . . . . . 0.437 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.559 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1468 ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' 1464 ' ' MET . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1471 ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' 1467 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1474 ' ' ILE . . . . . 0.448 ' CD1' ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1480 ' ' VAL . . . . . 0.518 HG13 ' CG ' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1483 ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1409 ' ' VAL . . . . . 0.586 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1413 ' ' HIS . . . . . 0.586 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.4 m170 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1414 ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1417 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1418 ' ' TRP . . . . . 0.49 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1425 ' ' LEU . . . . . 0.456 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1431 ' ' ASP . . . . . 0.457 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1451 ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' 1467 ' ' LEU . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1453 ' ' LEU . . . . . 0.457 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1454 ' ' TRP . . . . . 0.541 ' CZ3' HD13 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1467 ' ' LEU . . . . . 0.541 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1468 ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 25.1 m -117.03 -58.35 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 93.2 p -68.18 139.94 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -179.35 91.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.3 m -147.15 126.23 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.5 p -45.28 124.78 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 147.58 66.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 2.223 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -160.11 47.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.7 p -67.44 119.73 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.433 ' CD2' ' C ' ' A' 1397 ' ' LEU . 2.5 tt -124.91 110.39 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.1 p 53.43 39.23 29.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -135.84 30.92 2.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' 1401 ' ' GLU . 1.8 t -134.21 146.59 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.152 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1400 ' ' THR . 4.9 pt-20 -34.46 -54.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.0 -59.5 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.22 -51.21 19.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? -57.43 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.454 ' HE2' ' N ' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.559 HG12 ' CE1' ' A' 1413 ' ' HIS . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.577 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.3 m170 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' 1413 ' ' HIS . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' 1416 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.573 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.536 ' CZ3' HD11 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.536 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' 1467 ' ' LEU . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.53 105.89 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.08 84.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 67.1 p -50.05 -37.67 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 57.19 93.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -128.25 162.43 27.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -149.83 122.91 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.2 m -105.18 81.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -45.38 157.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -134.63 115.03 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.51 -52.44 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -171.91 151.76 2.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.698 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.61 26.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.29 149.32 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 8.3 t -134.54 101.22 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.1 t -64.98 98.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -171.68 101.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 23.5 t -62.84 106.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.0 m -65.14 -58.06 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.3 146.12 19.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 125.34 134.38 4.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 7.4 m -122.76 117.7 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 10.3 tt -45.07 116.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 30.4 m -111.04 -61.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 172.53 116.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 5.6 t -132.86 165.48 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.27 -49.43 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -59.08 -57.88 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -46.56 -44.45 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.51 -51.8 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 25.3 ttp -56.23 -50.06 72.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1407 ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' 1406 ' ' LYS . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.571 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.572 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.8 m170 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.435 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.414 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.45 ' CD2' HD23 ' A' 1450 ' ' LEU . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' 1453 ' ' LEU . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1444 ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' 1443 ' ' LEU . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1450 ' ' LEU . . . . . 0.45 HD23 ' CD2' ' A' 1421 ' ' LEU . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' 1427 ' ' PHE . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.464 ' CD1' HD13 ' A' 1425 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' 1463 ' ' ASN . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.438 ' CE2' ' OE2' ' A' 1484 ' ' GLU . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.572 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 -84.0 167.77 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -160.68 175.0 37.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 25.1 m -125.11 100.85 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 108.42 -154.6 16.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 -60.22 90.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -46.04 130.47 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 85.3 p -117.67 123.22 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -119.85 -51.45 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.8 p30 -55.62 114.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.3 tt -166.45 142.63 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.4 mttp -145.28 146.69 31.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 118.66 5.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -45.01 128.67 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 91.0 p -73.43 162.9 28.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 33.7 p -158.83 143.32 15.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 72.72 -167.49 53.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.8 m 54.43 44.87 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 20.0 m -106.13 124.64 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 134.2 147.83 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 114.91 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -149.23 -170.87 17.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 4.7 t -89.47 143.36 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 10.6 tt -66.06 117.73 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 2.2 t -85.24 87.77 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -141.46 -97.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.1 p -116.4 -175.03 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.77 -62.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -55.45 -20.23 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.36 -62.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -38.38 -53.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp -61.45 -46.33 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' 1413 ' ' HIS . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.591 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.4 m170 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.459 ' HG ' ' N ' ' A' 1418 ' ' TRP . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' 1416 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' 1419 ' ' ALA . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.449 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.456 HD12 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.463 ' CE1' HD23 ' A' 1453 ' ' LEU . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.454 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.431 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.463 HD23 ' CE1' ' A' 1427 ' ' PHE . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.456 ' CD1' HD12 ' A' 1425 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 16.3 m-80 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.557 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.431 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.426 HD11 ' CD2' ' A' 1467 ' ' LEU . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.449 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.434 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.03 39.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -76.23 -61.27 2.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 57.4 p -132.09 156.35 46.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 173.73 -138.41 4.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -45.2 109.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.23 140.36 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 18.3 t -105.55 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' 1492 ' ' ASN . 79.8 mtt180 -80.99 45.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1492 ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' 1491 ' ' ARG . 5.4 p-10 35.16 49.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.0 164.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -169.9 144.07 2.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.574 0.702 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.61 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 168.66 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 28.0 m -57.88 156.36 9.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 36.6 t -170.16 125.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1390 ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' 1392 ' ' SER . . . 111.94 -120.55 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1391 ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' 1390 ' ' GLY . 6.7 t 37.48 30.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1392 ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' 1390 ' ' GLY . 3.6 m -55.46 -51.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -106.1 167.3 14.3 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -136.92 139.34 10.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 65.9 p -100.64 32.35 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -121.35 89.79 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 14.8 m -108.31 134.68 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -52.23 99.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.437 HG22 ' CB ' ' A' 1403 ' ' ALA . 9.3 t -121.1 161.75 21.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -42.6 -64.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' 1403 ' ' ALA . 8.9 mt-30 -48.74 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' 1400 ' ' THR . . . -33.89 -55.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -45.96 -56.48 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' 1416 ' ' LEU . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.453 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.442 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.412 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.418 ' CB ' HD22 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.442 ' CD1' ' CD1' ' A' 1425 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.507 ' HG3' ' CZ ' ' A' 1468 ' ' TYR . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.456 ' CD2' HD12 ' A' 1471 ' ' LEU . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.545 ' CD1' HG12 ' A' 1480 ' ' VAL . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.456 HD12 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' 1468 ' ' TYR . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.04 119.27 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.67 -102.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 22.8 t -54.21 139.18 36.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -136.77 113.33 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -50.28 107.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -65.39 118.71 9.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 80.6 p -75.07 171.77 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -173.55 147.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -159.33 164.79 34.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.33 133.73 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 19.2 mttp -135.92 143.99 46.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.7 6.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 145.56 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.8 t 61.25 41.83 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 84.7 p -54.92 102.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 103.27 159.69 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 35.2 t -136.2 145.69 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.9 p -52.07 112.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 111.61 -158.17 14.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.25 37.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 123.22 -83.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 33.2 p -41.24 135.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.72 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 3.7 t -126.21 83.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 46.88 58.44 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.436 ' N ' ' HB1' ' A' 1403 ' ' ALA . 1.5 p -60.41 177.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.108 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' 1402 ' ' GLN . 16.9 pt-20 -61.26 -51.71 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.453 ' N ' ' HG3' ' A' 1401 ' ' GLU . 23.2 pt20 -80.84 -29.69 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.436 ' HB1' ' N ' ' A' 1400 ' ' THR . . . -47.1 -60.15 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1404 ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' 1403 ' ' ALA . 7.9 tm-20 -37.48 -54.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.1 tmm? -56.87 -65.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.564 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1412 ' ' GLU . . . . . 0.434 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.584 ' CE1' ' SD ' ' A' 1482 ' ' MET . 2.8 m170 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.471 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.455 HD13 ' NE1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.495 ' CE1' HD23 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1444 ' ' LEU . . . . . 0.434 ' CD1' ' HA ' ' A' 1412 ' ' GLU . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.416 ' CB ' HD21 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.495 HD23 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.48 ' CE2' ' HG3' ' A' 1458 ' ' GLU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1458 ' ' GLU . . . . . 0.48 ' HG3' ' CE2' ' A' 1454 ' ' TRP . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.438 ' N ' ' HB3' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.555 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' OE2' ' A' 1424 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' 1477 ' ' GLY . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -98.91 81.02 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -121.28 -77.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 2.4 m -125.09 171.82 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 125.09 104.64 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -61.11 138.87 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -120.48 97.83 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 3.3 m -126.74 42.43 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -106.16 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 4.6 m120 -99.87 121.48 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 34.2 tp -94.37 132.76 38.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.461 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 75.9 tttt -58.46 139.36 85.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1495 ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 54.0 Cg_endo -69.69 168.54 21.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -173.89 163.34 4.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 87.6 p -90.46 43.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 48.5 m -115.02 164.25 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -151.81 -59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.4 t -59.86 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 92.1 p -42.68 145.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -174.47 -87.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.93 37.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -166.06 137.14 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 1.1 t -81.47 -54.1 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1464 ' ' MET . 8.0 tp -87.54 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.0 t -108.8 96.69 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.79 -33.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 21.9 p -68.9 177.37 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.54 -31.89 53.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.412 ' CD ' ' HE2' ' A' 1406 ' ' LYS . 2.4 tt0 -90.4 -29.24 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' 1406 ' ' LYS . . . -41.43 -63.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -39.18 -48.34 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 5.1 ttp -61.12 -37.88 84.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1403 ' ' ALA . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.453 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.498 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.468 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.41 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.462 ' CB ' HD21 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.498 HD21 ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1454 ' ' TRP . . . . . . . . . . . . . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.586 HD21 ' N ' ' A' 1464 ' ' MET . 0.1 OUTLIER -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.586 ' N ' HD21 ' A' 1463 ' ' ASN . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1467 ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.453 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1479 ' ' ILE . . . . . 0.434 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.506 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.74 120.35 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 175.28 107.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.5 p -112.26 92.57 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -103.82 39.93 2.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -111.21 -42.26 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -73.03 112.26 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.9 t -169.72 144.43 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -71.62 67.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1493 ' ' LEU . 7.9 t30 -91.09 77.82 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1493 ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' 1492 ' ' ASN . 0.4 OUTLIER -35.35 144.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 23.4 tttt -132.59 82.32 57.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 156.06 64.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.283 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -154.06 147.01 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1388 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1389 ' ' SER . 50.7 m -51.78 152.24 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.814 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1389 ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' 1388 ' ' SER . 96.1 p -37.58 134.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -86.82 -93.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 34.3 t -97.77 -50.03 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.3 m 53.56 45.5 28.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -144.69 -158.1 7.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 178.02 5.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.06 76.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 5.0 m 44.24 52.26 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.407 ' C ' HD11 ' A' 1397 ' ' LEU . 3.8 pp -76.93 -31.77 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 89.0 p -62.35 101.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.89 40.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.452 HG21 ' N ' ' A' 1401 ' ' GLU . 52.0 m -114.77 136.86 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.452 ' N ' HG21 ' A' 1400 ' ' THR . 2.8 pm0 -37.46 -34.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' 1403 ' ' ALA . 1.2 mp0 -92.6 -58.27 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -34.06 -43.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.11 -49.72 75.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' 1402 ' ' GLN . 38.1 ttp -62.67 -39.51 94.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1407 ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' 1407 ' ' MET . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' 1413 ' ' HIS . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.575 ' CE1' ' CE ' ' A' 1482 ' ' MET . 4.8 m170 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1416 ' ' LEU . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.414 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.518 HD21 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.456 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.412 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 42.4 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.424 ' CB ' HD22 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.518 ' CD1' HD21 ' A' 1425 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.517 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.469 ' CD1' ' HE2' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.517 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.446 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.575 ' CE ' ' CE1' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.8 91.08 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -55.0 102.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 73.0 p -143.44 118.95 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.73 176.17 17.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.78 171.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -129.46 145.37 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 7.7 t -108.81 149.33 29.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.69 126.68 31.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -156.09 121.05 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.8 tp 43.25 43.32 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 145.64 9.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 153.95 67.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' 1497 ' ' ARG . 5.7 p-10 -44.05 160.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1497 ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' 1496 ' ' ASP . 8.7 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 41.3 m -76.76 89.17 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 64.3 m -75.24 105.09 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -112.51 176.43 17.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 14.7 m -114.31 88.17 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.1 m -125.45 157.06 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -121.19 145.56 17.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.49 5.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -36.43 -91.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 t -107.43 114.03 27.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 8.8 tp -107.76 145.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 47.5 t 45.46 51.43 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -175.61 84.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.5 t -169.71 169.39 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.419 ' CD ' ' HG3' ' A' 1402 ' ' GLN . 0.5 OUTLIER -40.82 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' C ' ' A' 1403 ' ' ALA . 78.9 mt-30 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -33.05 -43.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.25 -51.62 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.481 ' O ' ' CG2' ' A' 1409 ' ' VAL . 4.7 ttp -73.52 -34.24 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.597 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1410 ' ' ILE . . . . . 0.423 HD12 ' CE ' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' 1418 ' ' TRP . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' 1418 ' ' TRP . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.55 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.471 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.416 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1451 ' ' LEU . . . . . 0.427 ' CD2' HD13 ' A' 1467 ' ' LEU . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.467 ' CD1' HD13 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1457 ' ' ARG . . . . . 0.452 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1464 ' ' MET . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.521 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.454 ' CD2' HD13 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.521 ' CE2' ' HG3' ' A' 1464 ' ' MET . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.454 HD13 ' CD2' ' A' 1467 ' ' LEU . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1479 ' ' ILE . . . . . 0.458 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -114.47 91.89 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -74.58 -89.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 21.2 t -117.2 -59.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.815 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 110.56 107.78 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -102.64 122.0 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -137.88 154.8 49.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 29.9 m 53.76 35.93 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.8 103.65 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 60.1 t30 62.06 51.83 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tp -94.09 123.17 37.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.4 tttt -121.35 139.03 28.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.88 10.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -174.74 111.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 3.2 t -61.47 140.84 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 92.6 p -72.77 169.25 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.46 68.33 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 41.1 t -141.14 112.64 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.4 p -98.91 155.46 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -128.86 -157.92 9.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -13.1 34.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.91 141.2 5.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 86.1 p -120.06 139.96 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' 1398 ' ' SER . 9.8 tp -44.83 -65.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1398 ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' 1397 ' ' LEU . 27.0 p 35.52 44.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.37 92.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 77.3 m -104.08 132.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.124 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.459 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 2.4 pt-20 -38.11 -47.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.459 ' NE2' ' HG3' ' A' 1401 ' ' GLU . 2.2 mp0 -74.74 -48.1 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -34.01 -55.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -42.73 -56.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 11.9 tmm? -60.49 -37.84 82.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.468 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.46 ' N ' HG22 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1424 ' ' GLU . . . . . 0.422 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1432 ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1435 ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.408 ' CB ' HD21 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.463 ' CZ3' HD13 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.54 HD21 ' N ' ' A' 1464 ' ' MET . 0.2 OUTLIER -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.54 ' N ' HD21 ' A' 1463 ' ' ASN . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.463 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.401 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1467 ' ' LEU . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.435 ' CG ' HD12 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1479 ' ' ILE . . . . . 0.414 HG12 ' ND1' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -74.56 -69.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 120.76 -135.02 10.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 4.5 m -127.38 -47.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 111.7 -171.37 14.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -173.6 132.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.8 131.48 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.4 t -126.24 146.0 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.84 119.6 6.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -47.86 -71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' 1493 ' ' LEU . 0.0 OUTLIER -50.65 157.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.441 ' N ' ' CD2' ' A' 1493 ' ' LEU . 2.8 ptpt -129.08 151.54 77.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.596 0.713 . . . . 0.0 110.865 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1495 ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' 1496 ' ' ASP . 53.8 Cg_endo -69.79 3.67 2.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1496 ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' 1495 ' ' PRO . 32.0 m-20 -33.3 126.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.7 m -67.53 137.78 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 87.9 p -69.25 102.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.64 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.3 t -99.62 91.77 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.3 m -53.96 161.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 88.46 -167.39 35.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 153.64 68.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.11 96.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.1 p -154.65 106.18 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 1.2 pt? -87.05 143.18 27.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 75.5 m -133.57 77.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 52.49 64.3 4.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 9.5 t -87.54 162.57 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.167 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' 1402 ' ' GLN . 11.8 pt-20 -47.65 -43.11 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' 1403 ' ' ALA . 66.1 mt-30 -63.74 -51.43 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -36.01 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -41.13 -56.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? -58.18 -62.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.426 ' HE2' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' 1413 ' ' HIS . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.512 ' CG ' ' N ' ' A' 1419 ' ' ALA . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.457 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.441 ' CD2' HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.687 ' CD2' ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' 1446 ' ' GLN . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.687 ' CD1' ' CD2' ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1458 ' ' GLU . . . . . 0.433 ' CB ' ' HB1' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.597 ' CE2' ' CG ' ' A' 1464 ' ' MET . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.452 HD11 ' CD2' ' A' 1467 ' ' LEU . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.411 ' CG2' HD13 ' A' 1471 ' ' LEU . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.442 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1483 ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.83 174.25 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 155.27 57.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 1.9 t -169.56 137.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.45 141.32 16.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' 1488 ' ' ARG . 0.0 OUTLIER -80.16 155.47 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -149.71 142.0 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 16.5 t -173.75 152.71 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -114.6 140.41 48.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.38 165.5 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' 1494 ' ' LYS . 12.4 tp -118.41 153.17 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.455 ' N ' ' HG ' ' A' 1493 ' ' LEU . 1.7 pptp? -124.93 147.26 56.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.03 49.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 169.56 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.1 t -97.74 -43.46 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.3 t 57.39 42.56 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 173.05 -105.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.5 t 48.5 37.77 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.8 t -135.98 128.52 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 158.51 83.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -178.02 2.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 96.74 -79.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 73.4 m -161.58 159.05 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 60.3 mt -43.85 159.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.5 t -67.68 -38.84 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.01 88.54 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.2 p -66.9 -175.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' 1402 ' ' GLN . 10.8 pt-20 -71.06 -53.22 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.422 ' N ' ' CG ' ' A' 1401 ' ' GLU . 7.9 pt20 -73.19 -30.51 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.49 -56.68 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -43.14 -46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.0 ttt -60.1 -49.46 77.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.561 HG12 ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.561 ' CE1' HG12 ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' 1418 ' ' TRP . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.467 ' N ' ' HG ' ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1422 ' ' ALA . . . . . 0.446 ' HB2' ' CD1' ' A' 1450 ' ' LEU . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1424 ' ' GLU . . . . . 0.411 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1429 ' ' VAL . . . . . 0.596 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1432 ' ' ILE . . . . . 0.422 HG23 ' CH2' ' A' 1418 ' ' TRP . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.596 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1450 ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' 1422 ' ' ALA . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.501 ' CD1' HD22 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.471 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.498 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.471 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.436 HD12 ' CD2' ' A' 1467 ' ' LEU . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1483 ' ' LEU . . . . . 0.434 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -114.34 120.15 39.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -97.24 -47.35 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 8.2 t -78.9 104.4 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.99 0.424 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -120.92 176.86 16.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -44.24 147.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -95.74 124.07 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 81.2 p -109.52 147.69 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.38 123.45 50.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.44 138.05 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.3 109.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.47 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 30.6 ttpt -174.2 139.73 0.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.835 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1495 ' ' PRO . . . . . 0.47 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.77 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1496 ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' 1497 ' ' ARG . 29.7 m-20 -138.47 160.64 39.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1497 ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' 1497 ' ' ARG . 5.4 tmm_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.7 t -75.16 142.36 43.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 47.4 m -152.86 111.32 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -63.1 148.9 50.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.1 p -144.49 120.59 10.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 13.4 t -110.33 85.81 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -162.49 -164.2 16.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 174.95 8.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.43 120.42 4.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 96.7 p -89.04 -45.38 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.73 73.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1398 ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' 1399 ' ' GLY . 92.9 p -102.6 86.59 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1399 ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' 1398 ' ' SER . . . 35.74 86.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.465 ' HB ' ' CB ' ' A' 1403 ' ' ALA . 25.0 m -89.47 144.37 26.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.117 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.21 -33.45 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' 1405 ' ' MET . 25.5 pt20 -95.25 -47.9 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' 1400 ' ' THR . . . -33.34 -41.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.67 -49.61 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' 1402 ' ' GLN . 24.0 ttp -63.92 -42.23 97.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.462 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.595 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' 1413 ' ' HIS . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.498 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.405 HD23 ' NE1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.462 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' 1443 ' ' LEU . 41.8 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD11 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.547 HD11 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.524 ' CE2' ' CG ' ' A' 1464 ' ' MET . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.462 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1483 ' ' LEU . . . . . 0.468 ' N ' ' HG2' ' A' 1482 ' ' MET . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -120.71 -71.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 70.76 -167.16 51.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.428 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 24.6 t -147.56 120.22 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -172.1 -144.1 4.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -62.47 170.02 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1489 ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' 1490 ' ' SER . 3.8 pm0 -73.38 -34.2 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1490 ' ' SER . . . . . 0.454 ' N ' ' HG2' ' A' 1489 ' ' GLN . 7.2 t 38.33 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1491 ' ' ARG . . . . . 0.444 ' HG2' ' CG ' ' A' 1489 ' ' GLN . 8.8 ptm180 -101.48 127.16 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -172.06 164.5 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 44.3 mt -81.17 100.83 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 143.75 39.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.97 20.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 27.0 t0 -77.5 109.07 11.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 95.6 p -142.59 118.42 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.0 p -83.55 121.62 27.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.33 150.88 18.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.0 p -167.22 170.06 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.0 t -148.25 139.86 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -77.95 154.79 41.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 130.46 114.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1396 ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' 1459 ' ' GLY . 46.5 m -88.84 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' 1398 ' ' SER . 0.2 OUTLIER -71.33 114.36 9.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1398 ' ' SER . . . . . 0.459 ' N ' HD13 ' A' 1397 ' ' LEU . 18.4 t -34.5 -45.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 87.89 127.28 2.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' 1403 ' ' ALA . 87.1 m -160.58 139.77 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.108 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' 1400 ' ' THR . 5.9 tt0 -34.78 -54.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.35 -42.19 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.46 ' CB ' ' HB ' ' A' 1400 ' ' THR . . . -42.72 -48.84 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -44.57 -54.93 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp -57.53 -55.57 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' 1405 ' ' MET . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' 1413 ' ' HIS . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.574 ' CE1' ' SD ' ' A' 1482 ' ' MET . 4.4 m170 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.45 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1429 ' ' VAL . . . . . 0.596 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.596 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 23.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.45 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.546 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1455 ' ' VAL . . . . . 0.453 HG11 ' CB ' ' A' 1396 ' ' SER . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1459 ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' 1396 ' ' SER . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.55 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.546 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.55 ' CE2' ' HG3' ' A' 1464 ' ' MET . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.449 HD12 ' CD2' ' A' 1467 ' ' LEU . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.19 -69.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 146.35 -100.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 96.5 p -145.13 146.27 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -94.75 -70.98 1.11 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -119.75 116.47 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.37 129.01 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 41.4 t -79.29 80.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.07 93.42 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -102.83 139.78 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.72 124.68 31.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.464 ' CD ' ' HD2' ' A' 1495 ' ' PRO . 3.8 tppp? -156.94 137.5 9.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1495 ' ' PRO . . . . . 0.464 ' HD2' ' CD ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.75 -40.19 5.63 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -48.62 152.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.833 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 19.9 m -81.51 -54.56 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 10.7 t -62.25 117.53 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -177.58 157.32 21.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 21.0 m -136.41 157.5 46.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.4 m -121.32 -53.11 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 63.89 73.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.83 6.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.85 154.48 24.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.2 t -133.83 137.12 44.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.2 pp -148.47 139.59 23.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 4.6 m -125.47 84.79 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.6 122.23 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 12.6 t -149.82 162.75 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' 1402 ' ' GLN . 4.1 pm0 -43.51 -42.49 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.45 ' N ' ' HG2' ' A' 1401 ' ' GLU . 1.7 tt0 -73.24 -68.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' 1404 ' ' GLU . . . -41.52 -55.43 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1404 ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' 1403 ' ' ALA . 12.6 mt-10 -37.63 -51.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp -63.22 -46.57 86.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.666 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.666 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.5 m170 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.446 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1416 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.46 ' CD2' ' C ' ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1422 ' ' ALA . . . . . 0.456 ' CB ' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1429 ' ' VAL . . . . . 0.605 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1444 ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' 1443 ' ' LEU . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1450 ' ' LEU . . . . . 0.456 HD11 ' CB ' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.562 ' CD1' HD11 ' A' 1425 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.434 ' CG ' HD13 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.37 163.83 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -123.11 -90.41 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 3.8 m -116.23 143.08 45.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -139.76 113.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -81.65 171.66 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.42 101.26 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 129.89 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -135.7 140.35 44.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.23 166.01 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.6 pp -174.4 172.77 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 142.55 22.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.95 55.25 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -173.34 157.0 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 50.8 m -142.2 144.17 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 134.45 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -115.77 -74.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 83.2 p -95.15 97.48 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 78.1 p -78.7 -50.86 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.49 74.82 1.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 92.19 121.74 2.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.1 p -42.65 150.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' 1398 ' ' SER . 0.3 OUTLIER -66.76 -40.89 88.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1398 ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' 1397 ' ' LEU . 74.9 p 36.46 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.14 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' 1402 ' ' GLN . 98.6 m -90.52 134.6 34.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -38.9 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.433 ' O ' ' C ' ' A' 1403 ' ' ALA . 8.4 mm100 -90.43 -43.53 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -33.98 -61.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1404 ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' 1403 ' ' ALA . 3.1 tm-20 -35.48 -57.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp -57.83 -60.76 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1416 ' ' LEU . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' 1414 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1420 ' ' GLU . . . . . 0.463 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.526 HD11 ' CD1' ' A' 1454 ' ' TRP . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.455 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.413 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.526 ' CD1' HD11 ' A' 1425 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.461 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.466 ' CD2' HD12 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.461 ' CE2' ' HG3' ' A' 1464 ' ' MET . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.466 HD12 ' CD2' ' A' 1467 ' ' LEU . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.463 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.419 HG11 ' CG ' ' A' 1468 ' ' TYR . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.3 165.04 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -131.04 -166.65 11.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 16.8 m -149.56 143.57 25.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -116.25 -119.59 3.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -62.56 135.34 57.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -99.27 -43.5 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 55.9 p -118.55 87.66 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -85.62 41.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -43.92 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 1.5 pt? -164.08 158.03 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.1 mttt -70.38 142.57 89.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -168.42 134.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 36.0 m -155.48 167.28 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.6 t -84.22 87.22 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.33 140.61 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 13.3 t -108.75 144.99 35.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.2 m -86.12 95.36 9.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 151.68 87.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -151.11 -124.72 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 t -160.26 135.94 8.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.3 tt -100.86 78.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 7.1 t -104.08 30.68 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.97 88.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' 1401 ' ' GLU . 8.6 t -91.53 167.61 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.1 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.444 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 5.9 pt-20 -36.22 -48.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.444 ' NE2' ' HG3' ' A' 1401 ' ' GLU . 3.3 mp0 -61.61 -50.77 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -35.74 -48.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.58 -54.95 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 31.6 ttp -53.64 -48.96 68.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' 1413 ' ' HIS . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1410 ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' 1409 ' ' VAL . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1411 ' ' SER . . . . . 0.435 ' OG ' ' CD1' ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' 1418 ' ' TRP . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.484 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1424 ' ' GLU . . . . . 0.412 ' O ' ' CD ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.572 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.433 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1450 ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1451 ' ' LEU . . . . . 0.435 ' CD1' ' OG ' ' A' 1411 ' ' SER . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.572 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.519 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.546 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' 1464 ' ' MET . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.438 HD12 ' CD2' ' A' 1467 ' ' LEU . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.429 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1479 ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.405 HG13 ' CG ' ' A' 1468 ' ' TYR . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1483 ' ' LEU . . . . . 0.404 HD22 ' CG1' ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -101.89 99.55 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -142.32 -105.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 36.8 m -156.91 166.37 33.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -163.59 -133.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -95.68 92.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -174.37 117.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.0 t -158.59 141.67 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -69.89 98.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 3.2 m120 -92.26 124.04 36.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.17 153.61 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.7 143.73 47.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.27 161.6 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 32.0 t -116.21 126.33 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 66.2 m -137.19 139.0 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -111.34 138.12 14.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.7 t -106.77 161.16 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 10.3 m -128.53 99.5 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 164.34 68.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.41 60.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -173.55 -152.02 8.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 13.6 t -122.64 96.42 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.78 115.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 58.6 m -111.04 -47.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 139.73 131.63 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' 1403 ' ' ALA . 0.1 OUTLIER -143.17 144.77 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' 1402 ' ' GLN . 3.3 pm0 -39.37 -39.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.404 ' N ' ' HG2' ' A' 1401 ' ' GLU . 49.7 mt-30 -67.3 -39.33 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' 1400 ' ' THR . . . -51.14 -50.74 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.67 -48.21 49.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp -60.12 -60.7 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.473 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' 1413 ' ' HIS . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.569 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' 1425 ' ' LEU . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1429 ' ' VAL . . . . . 0.602 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1431 ' ' ASP . . . . . 0.45 ' OD2' ' CD2' ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.602 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 0.2 OUTLIER -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.45 ' CD2' ' OD2' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.554 ' CZ3' HD13 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.557 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.554 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.557 ' CE2' ' HG3' ' A' 1464 ' ' MET . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1476 ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1479 ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.4 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -92.66 119.52 32.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 138.66 95.25 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.6 m -143.48 172.55 12.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 124.04 74.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 99.24 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1489 ' ' GLN . . . . . 0.431 ' CD ' ' O ' ' A' 1489 ' ' GLN . 0.1 OUTLIER 41.22 41.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.3 t -124.97 87.05 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -97.16 97.22 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1492 ' ' ASN . . . . . 0.43 ' C ' ' OD1' ' A' 1492 ' ' ASN . 2.8 p30 -67.15 161.02 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.94 114.16 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -105.47 127.93 27.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.731 2.287 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -85.71 140.33 30.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 21.2 m -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.3 p -51.11 117.27 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 179.29 147.82 7.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.04 133.67 54.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 62.4 p -127.63 175.5 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 157.19 -162.94 32.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.64 52.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -157.41 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.8 m -125.05 133.77 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 2.0 tp -108.47 117.9 35.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 17.7 t -124.46 78.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 38.73 67.59 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.437 ' HB ' ' CB ' ' A' 1403 ' ' ALA . 15.3 m -56.51 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 0.0 111.176 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -45.01 -39.35 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.27 -27.93 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.437 ' CB ' ' HB ' ' A' 1400 ' ' THR . . . -44.56 -57.01 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.78 -50.05 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? -61.3 -45.55 94.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.467 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.606 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.472 ' HG ' ' CA ' ' A' 1418 ' ' TRP . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.499 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.703 ' CD2' ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.46 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1437 ' ' VAL . . . . . 0.416 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.703 ' CD1' ' CD2' ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.535 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.463 ' CD2' HD13 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' 1464 ' ' MET . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' 1467 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' 1471 ' ' LEU . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.496 HG11 ' CG ' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.3 138.53 31.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -141.39 138.45 8.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 13.1 t -86.51 103.24 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -168.0 -164.57 23.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -96.73 142.75 28.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -132.23 141.31 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 37.2 m -41.58 -59.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 39.1 43.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -106.84 90.34 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -46.35 106.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.6 mttp -90.24 150.59 43.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.677 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -16.44 37.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.01 155.44 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 16.6 m -80.56 108.1 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 73.6 p -48.93 158.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 143.45 68.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 38.9 p -53.88 106.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.8 t -90.76 117.07 29.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -91.6 158.16 25.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.58 33.33 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 139.43 133.18 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.8 p -122.49 167.7 13.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.87 134.27 56.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 42.5 t -117.11 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 89.66 117.05 1.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1400 ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' 1401 ' ' GLU . 5.7 t -123.72 -175.63 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.437 ' N ' ' OG1' ' A' 1400 ' ' THR . 8.7 tt0 -61.1 -69.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' 1403 ' ' ALA . 16.8 pt20 -45.53 -47.52 14.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1403 ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -33.81 -64.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1404 ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' 1403 ' ' ALA . 11.3 tt0 -35.36 -59.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp -56.11 -57.83 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.471 HD22 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.448 ' OG ' ' CD1' ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.54 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1421 ' ' LEU . . . . . 0.408 ' CD2' ' CD2' ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1422 ' ' ALA . . . . . 0.454 ' HB3' ' CD1' ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1427 ' ' PHE . . . . . 0.414 ' CE1' HD21 ' A' 1453 ' ' LEU . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 30.7 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1447 ' ' SER . . . . . 0.471 ' CB ' HD22 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1450 ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' 1427 ' ' PHE . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.559 ' CZ3' HD13 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.437 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.558 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1465 ' ' GLU . . . . . 0.437 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.559 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1468 ' ' TYR . . . . . 0.558 ' CE2' ' HG3' ' A' 1464 ' ' MET . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1471 ' ' LEU . . . . . 0.432 ' CD1' ' CD2' ' A' 1467 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1474 ' ' ILE . . . . . 0.448 ' CD1' ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1480 ' ' VAL . . . . . 0.518 HG13 ' CG ' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1483 ' ' LEU . . . . . 0.408 HD22 ' CB ' ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -95.04 114.61 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -152.64 145.34 12.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 58.6 m -107.45 -50.62 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 123.24 63.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -67.94 138.45 55.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 54.04 40.93 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 10.5 t -80.16 103.8 10.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -96.97 44.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1492 ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' 1492 ' ' ASN . 2.0 p30 -145.43 168.28 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 21.4 mt -112.06 122.65 48.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1494 ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' 1494 ' ' LYS . 2.4 pptp? -38.78 142.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.33 131.99 42.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 27.5 t -135.25 126.99 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 44.8 t -152.33 128.9 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.04 -47.87 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.6 m -154.58 106.28 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.3 t -123.15 -51.49 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 50.61 -159.1 1.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.89 2.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 109.93 79.62 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.2 p -127.03 137.38 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1397 ' ' LEU . . . . . 0.412 ' C ' HD21 ' A' 1397 ' ' LEU . 6.5 tt -146.63 145.54 30.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1398 ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' 1399 ' ' GLY . 34.8 p -158.43 152.35 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1399 ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' 1398 ' ' SER . . . -37.55 106.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 8.8 t -122.9 168.48 12.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.077 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1401 ' ' GLU . . . . . 0.403 ' HG2' ' NE2' ' A' 1402 ' ' GLN . 7.1 pm0 -46.99 -35.71 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1402 ' ' GLN . . . . . 0.403 ' NE2' ' HG2' ' A' 1401 ' ' GLU . 19.6 mp0 -72.32 -51.39 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -42.7 -56.74 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -42.57 -51.9 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp -59.39 -66.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1409 ' ' VAL . . . . . 0.586 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1413 ' ' HIS . . . . . 0.586 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.4 m170 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1414 ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1417 ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1418 ' ' TRP . . . . . 0.49 ' N ' ' O ' ' A' 1416 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1425 ' ' LEU . . . . . 0.456 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1431 ' ' ASP . . . . . 0.457 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1451 ' ' LEU . . . . . 0.426 ' CD2' HD11 ' A' 1467 ' ' LEU . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1453 ' ' LEU . . . . . 0.457 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1454 ' ' TRP . . . . . 0.541 ' CZ3' HD13 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1467 ' ' LEU . . . . . 0.541 HD13 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1468 ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -104.99 91.8 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -115.36 94.67 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 17.2 t -108.41 117.49 34.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1487 ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' 1488 ' ' ARG . . . -75.61 97.45 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1488 ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' 1487 ' ' GLY . 0.3 OUTLIER -33.01 126.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -119.36 144.95 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 51.1 m -87.92 109.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1491 ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' 1491 ' ' ARG . 8.0 mtp-105 -85.78 108.72 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.17 130.71 35.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 2.1 pp -131.16 54.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 81.8 7.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.702 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -4.64 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 17.9 m-20 47.59 51.4 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.841 HG11 HD21 ' A' 1483 ' ' LEU . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' HG13 ' A' 1409 ' ' VAL . 1.8 m-70 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' 1447 ' ' SER . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.454 ' OG ' HD12 ' A' 1414 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.599 ' HA ' HD21 ' A' 1414 ' ' LEU . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' 1474 ' ' ILE . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' 1471 ' ' LEU . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1422 ' ' ALA . . . . . 0.526 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.419 HG23 ' CH2' ' A' 1418 ' ' TRP . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.427 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' 1448 ' ' VAL . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' 1414 ' ' LEU . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1444 ' ' LEU . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' 1422 ' ' ALA . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.556 ' CZ3' HD12 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.597 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.597 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 3.8 m120 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.556 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.718 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' 1468 ' ' TYR . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' 1420 ' ' GLU . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.841 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.412 ' O ' HG23 ' A' 1409 ' ' VAL . 25.3 ttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.505 ' HA ' HD12 ' A' 1410 ' ' ILE . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.644 HG11 HD21 ' A' 1483 ' ' LEU . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' 1407 ' ' MET . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.3 m-70 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' 1447 ' ' SER . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.442 ' HB2' HD12 ' A' 1414 ' ' LEU . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.513 HG12 HD22 ' A' 1433 ' ' ASN . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' 1435 ' ' ILE . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.513 HD22 HG12 ' A' 1429 ' ' VAL . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' 1432 ' ' ILE . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.428 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.528 HD23 ' OE1' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' 1448 ' ' VAL . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.528 ' OE1' HD23 ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' 1444 ' ' LEU . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.566 HD22 ' HE3' ' A' 1418 ' ' TRP . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.693 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' 1467 ' ' LEU . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.693 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.652 ' CD1' HG22 ' A' 1480 ' ' VAL . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 1468 ' ' TYR . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.514 HD11 ' HG3' ' A' 1476 ' ' ARG . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.514 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.422 HG21 ' HA ' ' A' 1410 ' ' ILE . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.644 HD21 HG11 ' A' 1409 ' ' VAL . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' 1410 ' ' ILE . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.878 HG11 HD21 ' A' 1483 ' ' LEU . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' 1407 ' ' MET . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.55 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.0 m-70 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.685 HD23 ' CB ' ' A' 1447 ' ' SER . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1415 ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' 1443 ' ' LEU . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1416 ' ' LEU . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' 1414 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.533 ' HA ' HD21 ' A' 1414 ' ' LEU . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' 1421 ' ' LEU . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.454 HG12 HD22 ' A' 1433 ' ' ASN . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.464 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' 1415 ' ' GLY . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' 1448 ' ' VAL . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.685 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1444 ' ' LEU . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1455 ' ' VAL . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.512 ' CZ3' HD12 ' A' 1467 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1451 ' ' LEU . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 13.0 m120 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.512 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.878 HD21 HG11 ' A' 1409 ' ' VAL . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' 1444 ' ' LEU . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' 1447 ' ' SER . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.525 HD22 HD21 ' A' 1471 ' ' LEU . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.448 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' 1446 ' ' GLN . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' 1412 ' ' GLU . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.445 ' OE1' HD23 ' A' 1443 ' ' LEU . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.7 ' CB ' HD23 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.51 HD22 ' HE3' ' A' 1418 ' ' TRP . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' 1455 ' ' VAL . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' 1467 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' 1451 ' ' LEU . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.528 ' HG3' ' CZ ' ' A' 1468 ' ' TYR . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' 1464 ' ' MET . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.488 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.47 ' O ' HG23 ' A' 1409 ' ' VAL . 3.1 tmm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.442 ' HA ' HD12 ' A' 1410 ' ' ILE . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.778 HG11 HD21 ' A' 1483 ' ' LEU . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' 1407 ' ' MET . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.538 ' CD2' ' SD ' ' A' 1482 ' ' MET . 1.9 m-70 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.805 HD23 ' CB ' ' A' 1447 ' ' SER . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1415 ' ' GLY . . . . . 0.629 ' O ' HD22 ' A' 1443 ' ' LEU . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1427 ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' 1437 ' ' VAL . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' 1415 ' ' GLY . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1448 ' ' VAL . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.805 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1444 ' ' LEU . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1455 ' ' VAL . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1451 ' ' LEU . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.578 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.5 m120 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.457 HG23 ' HD2' ' A' 1413 ' ' HIS . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.544 HG22 ' HD1' ' A' 1468 ' ' TYR . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.538 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.778 HD21 HG11 ' A' 1409 ' ' VAL . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.656 ' O ' HG23 ' A' 1409 ' ' VAL . 5.1 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.652 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1425 ' ' LEU . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1421 ' ' LEU . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1427 ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.478 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' 1443 ' ' LEU . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' 1448 ' ' VAL . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.736 ' HB2' HD23 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' 1444 ' ' LEU . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' 1455 ' ' VAL . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.552 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 1451 ' ' LEU . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.541 ' O ' HG23 ' A' 1409 ' ' VAL . 38.1 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.646 ' HE1' HD22 ' A' 1451 ' ' LEU . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.873 HG11 HD21 ' A' 1483 ' ' LEU . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.579 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.0 m-70 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1447 ' ' SER . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' 1448 ' ' VAL . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 27.1 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.602 ' HB2' HD23 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' 1444 ' ' LEU . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.646 HD22 ' HE1' ' A' 1407 ' ' MET . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.55 ' CZ3' HD12 ' A' 1467 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.567 HD11 ' HE1' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' 1480 ' ' VAL . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.565 HD23 HD12 ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.873 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.657 ' O ' HG23 ' A' 1409 ' ' VAL . 4.7 ttp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.481 ' HA ' HD12 ' A' 1410 ' ' ILE . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1405 ' ' MET . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.534 HD11 ' HE2' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' 1447 ' ' SER . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.533 ' HB2' HD12 ' A' 1414 ' ' LEU . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' 1448 ' ' VAL . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.829 ' HB3' HD23 ' A' 1414 ' ' LEU . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' 1444 ' ' LEU . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' 1455 ' ' VAL . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.433 HD12 ' NH1' ' A' 1457 ' ' ARG . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.45 ' CD1' HD22 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' 1451 ' ' LEU . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1457 ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.57 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.57 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1464 ' ' MET . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.545 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' 1471 ' ' LEU . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.552 HG23 ' ND1' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.508 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1483 ' ' LEU . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.603 ' O ' HG23 ' A' 1409 ' ' VAL . 11.9 tmm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.462 ' OG ' HD12 ' A' 1474 ' ' ILE . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.415 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.639 ' HB2' HD13 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1422 ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1424 ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' 1437 ' ' VAL . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.66 ' CB ' HD23 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' 1455 ' ' VAL . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1451 ' ' LEU . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.593 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' 1468 ' ' TYR . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.604 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1468 ' ' TYR . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.527 HD21 HG11 ' A' 1409 ' ' VAL . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.44 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' 1451 ' ' LEU . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.56 HG23 HD21 ' A' 1471 ' ' LEU . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' 1444 ' ' LEU . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' 1447 ' ' SER . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.672 ' HA ' HD21 ' A' 1414 ' ' LEU . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.539 HD23 HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.743 HD23 ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.482 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.482 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.408 HG22 ' HG2' ' A' 1446 ' ' GLN . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.43 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1416 ' ' LEU . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' 1448 ' ' VAL . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' 1414 ' ' LEU . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1444 ' ' LEU . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.435 ' HB3' ' HE3' ' A' 1407 ' ' MET . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.743 ' CD1' HD23 ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.474 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' 1471 ' ' LEU . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' 1468 ' ' TYR . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.52 ' HD2' HD11 ' A' 1479 ' ' ILE . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.631 HG23 ' ND1' ' A' 1413 ' ' HIS . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.489 ' O ' HG23 ' A' 1409 ' ' VAL . 9.0 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.802 HD23 ' OG ' ' A' 1447 ' ' SER . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.645 ' HA ' HD21 ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' 1421 ' ' LEU . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1424 ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' 1448 ' ' VAL . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.802 ' OG ' HD23 ' A' 1414 ' ' LEU . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' 1444 ' ' LEU . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1455 ' ' VAL . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.58 ' CD1' HD13 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' 1451 ' ' LEU . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 1468 ' ' TYR . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.52 ' O ' HG23 ' A' 1409 ' ' VAL . 24.0 ttp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.613 HG11 HD21 ' A' 1483 ' ' LEU . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' 1483 ' ' LEU . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' 1418 ' ' TRP . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.611 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.514 ' HB3' HG21 ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' 1437 ' ' VAL . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.472 ' NE2' ' NE1' ' A' 1418 ' ' TRP . 28.7 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.538 ' CB ' HD23 ' A' 1414 ' ' LEU . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.611 HD22 ' HE3' ' A' 1418 ' ' TRP . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.553 ' CZ3' HD12 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.627 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG13 ' A' 1480 ' ' VAL . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' 1468 ' ' TYR . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.613 HD21 HG11 ' A' 1409 ' ' VAL . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' 1410 ' ' ILE . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.956 HG11 HD21 ' A' 1483 ' ' LEU . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' 1406 ' ' LYS . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.591 ' CD2' ' SD ' ' A' 1482 ' ' MET . 2.1 m-70 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.574 HD12 HD21 ' A' 1450 ' ' LEU . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' 1448 ' ' VAL . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 18.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.737 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1444 ' ' LEU . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.574 HD21 HD12 ' A' 1421 ' ' LEU . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' 1455 ' ' VAL . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1451 ' ' LEU . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.91 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' 1471 ' ' LEU . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.595 HD11 ' HG3' ' A' 1476 ' ' ARG . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.595 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' 1468 ' ' TYR . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.956 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.548 HG13 ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.5 m-70 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.729 HD23 ' CB ' ' A' 1447 ' ' SER . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.531 ' HE3' HD12 ' A' 1450 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1422 ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' 1435 ' ' ILE . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' 1432 ' ' ILE . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' 1448 ' ' VAL . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.729 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' 1444 ' ' LEU . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' 1455 ' ' VAL . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.529 ' CZ3' HD12 ' A' 1467 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' 1451 ' ' LEU . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.529 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' 1447 ' ' SER . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' 1416 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1420 ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1471 ' ' LEU . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.469 HG12 HD22 ' A' 1433 ' ' ASN . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' 1414 ' ' LEU . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1444 ' ' LEU . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' 1455 ' ' VAL . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' 1467 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' 1451 ' ' LEU . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.584 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.939 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' 1468 ' ' TYR . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' 1413 ' ' HIS . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' 1483 ' ' LEU . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.553 ' O ' HG23 ' A' 1409 ' ' VAL . 31.6 ttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.345 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.826 HG11 HD21 ' A' 1483 ' ' LEU . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' 1464 ' ' MET . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1411 ' ' SER . . . . . 0.541 ' OG ' HD11 ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.504 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.628 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1424 ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.65 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.541 HG12 HD22 ' A' 1433 ' ' ASN . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.541 HD22 HG12 ' A' 1429 ' ' VAL . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.659 ' CB ' HD23 ' A' 1414 ' ' LEU . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' 1455 ' ' VAL . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.65 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1451 ' ' LEU . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.704 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.567 ' HE2' HD11 ' A' 1410 ' ' ILE . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.834 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1468 ' ' TYR . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.826 HD21 HG11 ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' 1410 ' ' ILE . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' 1407 ' ' MET . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 1418 ' ' TRP . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.603 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.605 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' HD21 ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.532 HG23 ' CH2' ' A' 1418 ' ' TRP . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' HG13 ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1437 ' ' VAL . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m120 -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1448 ' ' VAL . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1444 ' ' LEU . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.603 HD22 ' HE3' ' A' 1418 ' ' TRP . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.472 HD21 ' OD1' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.9 m120 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1476 ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' 1483 ' ' LEU . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.623 HG11 HD21 ' A' 1483 ' ' LEU . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' 1447 ' ' SER . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.504 ' CH2' HG23 ' A' 1432 ' ' ILE . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.811 HD13 HD23 ' A' 1471 ' ' LEU . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.779 HD23 ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1427 ' ' PHE . . . . . 0.474 ' CE1' HD23 ' A' 1453 ' ' LEU . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1429 ' ' VAL . . . . . 0.443 HG12 HD22 ' A' 1433 ' ' ASN . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.504 HG23 ' CH2' ' A' 1418 ' ' TRP . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' 1446 ' ' GLN . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' 1448 ' ' VAL . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' 1435 ' ' ILE . 24.0 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1444 ' ' LEU . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' 1418 ' ' TRP . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' 1427 ' ' PHE . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.779 ' CD1' HD23 ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1470 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1474 ' ' ILE . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.811 HD23 HD13 ' A' 1421 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' 1470 ' ' ALA . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.407 HG23 ' ND1' ' A' 1413 ' ' HIS . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.623 HD21 HG11 ' A' 1409 ' ' VAL . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1411 ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' 1451 ' ' LEU . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.809 HD23 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.467 ' OG ' HD11 ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.641 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1422 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.444 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1432 ' ' ILE . . . . . 0.421 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1444 ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 19.2 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.809 ' CB ' HD23 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1448 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1444 ' ' LEU . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' 1455 ' ' VAL . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' 1451 ' ' LEU . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1458 ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.582 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1465 ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.768 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.634 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1421 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1474 ' ' ILE . . . . . 0.467 HD11 ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.598 HD21 HG11 ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1409 ' ' VAL . . . . . 0.842 HG11 HD21 ' A' 1483 ' ' LEU . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1413 ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' 1482 ' ' MET . 1.8 m-70 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1414 ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1417 ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' 1414 ' ' LEU . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1421 ' ' LEU . . . . . 0.454 HD13 HD23 ' A' 1471 ' ' LEU . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1425 ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1427 ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' 1425 ' ' LEU . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1430 ' ' GLU . . . . . 0.479 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1431 ' ' ASP . . . . . 0.553 ' OD2' HD21 ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1435 ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' 1446 ' ' GLN . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1437 ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' 1437 ' ' VAL . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1446 ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1447 ' ' SER . . . . . 0.619 ' CB ' HD23 ' A' 1414 ' ' LEU . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1450 ' ' LEU . . . . . 0.512 HD22 ' HE3' ' A' 1418 ' ' TRP . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1451 ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' 1455 ' ' VAL . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1453 ' ' LEU . . . . . 0.553 HD21 ' OD2' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1454 ' ' TRP . . . . . 0.6 ' CZ3' HD12 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1451 ' ' LEU . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1467 ' ' LEU . . . . . 0.6 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1468 ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' 1480 ' ' VAL . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' 1467 ' ' LEU . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1479 ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' 1413 ' ' HIS . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1480 ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1483 ' ' LEU . . . . . 0.842 HD21 HG11 ' A' 1409 ' ' VAL . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 25.1 m -117.03 -58.35 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 93.2 p -68.18 139.94 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -179.35 91.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.3 m -147.15 126.23 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.5 p -45.28 124.78 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 147.58 66.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 2.223 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -160.11 47.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.7 p -67.44 119.73 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' 1397 ' ' LEU . 2.5 tt -124.91 110.39 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.465 ' N ' HD23 ' A' 1397 ' ' LEU . 5.1 p 53.43 39.23 29.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -135.84 30.92 2.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' 1401 ' ' GLU . 1.8 t -134.21 146.59 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.152 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1400 ' ' THR . 4.9 pt-20 -34.46 -54.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.0 -59.5 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.22 -51.21 19.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? -57.43 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.841 HG11 HD21 ' A' 1483 ' ' LEU . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' HG13 ' A' 1409 ' ' VAL . 1.8 m-70 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' 1447 ' ' SER . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.454 ' OG ' HD12 ' A' 1414 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.599 ' HA ' HD21 ' A' 1414 ' ' LEU . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' 1474 ' ' ILE . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' 1471 ' ' LEU . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1422 ' ' ALA . . . . . 0.526 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.419 HG23 ' CH2' ' A' 1418 ' ' TRP . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.427 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' 1448 ' ' VAL . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' 1414 ' ' LEU . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1444 ' ' LEU . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' 1422 ' ' ALA . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.556 ' CZ3' HD12 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.597 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.597 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 3.8 m120 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.556 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.718 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' 1468 ' ' TYR . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' 1420 ' ' GLU . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.841 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.53 105.89 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.08 84.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 67.1 p -50.05 -37.67 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 57.19 93.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -128.25 162.43 27.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -149.83 122.91 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.2 m -105.18 81.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -45.38 157.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -134.63 115.03 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.51 -52.44 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -171.91 151.76 2.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.698 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.61 26.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.29 149.32 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 8.3 t -134.54 101.22 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.1 t -64.98 98.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -171.68 101.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 23.5 t -62.84 106.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.0 m -65.14 -58.06 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.3 146.12 19.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 125.34 134.38 4.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 7.4 m -122.76 117.7 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 10.3 tt -45.07 116.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 30.4 m -111.04 -61.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 172.53 116.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 5.6 t -132.86 165.48 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.27 -49.43 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -59.08 -57.88 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -46.56 -44.45 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.51 -51.8 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.412 ' O ' HG23 ' A' 1409 ' ' VAL . 25.3 ttp -56.23 -50.06 72.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.505 ' HA ' HD12 ' A' 1410 ' ' ILE . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.644 HG11 HD21 ' A' 1483 ' ' LEU . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' 1407 ' ' MET . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.3 m-70 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' 1447 ' ' SER . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.442 ' HB2' HD12 ' A' 1414 ' ' LEU . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.513 HG12 HD22 ' A' 1433 ' ' ASN . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' 1435 ' ' ILE . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.513 HD22 HG12 ' A' 1429 ' ' VAL . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' 1432 ' ' ILE . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.428 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.528 HD23 ' OE1' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' 1448 ' ' VAL . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.528 ' OE1' HD23 ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' 1444 ' ' LEU . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.566 HD22 ' HE3' ' A' 1418 ' ' TRP . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.693 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' 1467 ' ' LEU . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.693 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.652 ' CD1' HG22 ' A' 1480 ' ' VAL . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 1468 ' ' TYR . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.514 HD11 ' HG3' ' A' 1476 ' ' ARG . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.514 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.422 HG21 ' HA ' ' A' 1410 ' ' ILE . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.474 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.644 HD21 HG11 ' A' 1409 ' ' VAL . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 -84.0 167.77 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -160.68 175.0 37.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 25.1 m -125.11 100.85 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 108.42 -154.6 16.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 -60.22 90.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -46.04 130.47 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 85.3 p -117.67 123.22 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -119.85 -51.45 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.8 p30 -55.62 114.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.503 ' C ' HD23 ' A' 1493 ' ' LEU . 4.3 tt -166.45 142.63 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.4 mttp -145.28 146.69 31.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 118.66 5.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -45.01 128.67 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 91.0 p -73.43 162.9 28.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 33.7 p -158.83 143.32 15.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 72.72 -167.49 53.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.8 m 54.43 44.87 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 20.0 m -106.13 124.64 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 134.2 147.83 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 114.91 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -149.23 -170.87 17.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 4.7 t -89.47 143.36 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' 1397 ' ' LEU . 10.6 tt -66.06 117.73 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 2.2 t -85.24 87.77 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -141.46 -97.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.1 p -116.4 -175.03 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.77 -62.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.411 ' HB3' ' CE ' ' A' 1406 ' ' LYS . 14.2 mt-30 -55.45 -20.23 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.36 -62.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -38.38 -53.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp -61.45 -46.33 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.411 ' CE ' ' HB3' ' A' 1402 ' ' GLN . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' 1410 ' ' ILE . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.878 HG11 HD21 ' A' 1483 ' ' LEU . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' 1407 ' ' MET . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.55 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.0 m-70 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.685 HD23 ' CB ' ' A' 1447 ' ' SER . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1415 ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' 1443 ' ' LEU . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1416 ' ' LEU . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' 1414 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.533 ' HA ' HD21 ' A' 1414 ' ' LEU . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' 1421 ' ' LEU . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.454 HG12 HD22 ' A' 1433 ' ' ASN . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.464 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' 1415 ' ' GLY . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' 1448 ' ' VAL . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.685 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1444 ' ' LEU . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1455 ' ' VAL . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.512 ' CZ3' HD12 ' A' 1467 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1451 ' ' LEU . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 13.0 m120 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.512 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.546 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.878 HD21 HG11 ' A' 1409 ' ' VAL . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.03 39.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -76.23 -61.27 2.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 57.4 p -132.09 156.35 46.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 173.73 -138.41 4.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -45.2 109.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.23 140.36 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 18.3 t -105.55 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' 1492 ' ' ASN . 79.8 mtt180 -80.99 45.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1492 ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' 1491 ' ' ARG . 5.4 p-10 35.16 49.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.0 164.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -169.9 144.07 2.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.574 0.702 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.61 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 168.66 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 28.0 m -57.88 156.36 9.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 36.6 t -170.16 125.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1390 ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' 1392 ' ' SER . . . 111.94 -120.55 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1391 ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' 1390 ' ' GLY . 6.7 t 37.48 30.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1392 ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' 1390 ' ' GLY . 3.6 m -55.46 -51.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -106.1 167.3 14.3 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -136.92 139.34 10.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 65.9 p -100.64 32.35 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.692 HD23 ' H ' ' A' 1464 ' ' MET . 0.9 OUTLIER -121.35 89.79 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 14.8 m -108.31 134.68 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -52.23 99.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.568 HG23 ' H ' ' A' 1403 ' ' ALA . 9.3 t -121.1 161.75 21.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -42.6 -64.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' 1403 ' ' ALA . 8.9 mt-30 -48.74 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.568 ' H ' HG23 ' A' 1400 ' ' THR . . . -33.89 -55.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -45.96 -56.48 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' 1444 ' ' LEU . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' 1447 ' ' SER . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.525 HD22 HD21 ' A' 1471 ' ' LEU . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.448 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' 1446 ' ' GLN . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' 1412 ' ' GLU . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.445 ' OE1' HD23 ' A' 1443 ' ' LEU . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.7 ' CB ' HD23 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.51 HD22 ' HE3' ' A' 1418 ' ' TRP . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' 1455 ' ' VAL . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' 1467 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' 1451 ' ' LEU . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.692 ' H ' HD23 ' A' 1397 ' ' LEU . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' 1464 ' ' MET . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.488 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.04 119.27 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.67 -102.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 22.8 t -54.21 139.18 36.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -136.77 113.33 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -50.28 107.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -65.39 118.71 9.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 80.6 p -75.07 171.77 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -173.55 147.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -159.33 164.79 34.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.33 133.73 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 19.2 mttp -135.92 143.99 46.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.7 6.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 145.56 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.8 t 61.25 41.83 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 84.7 p -54.92 102.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 103.27 159.69 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 35.2 t -136.2 145.69 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.9 p -52.07 112.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 111.61 -158.17 14.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.25 37.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 123.22 -83.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 33.2 p -41.24 135.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.72 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 3.7 t -126.21 83.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 46.88 58.44 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.5 p -60.41 177.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.108 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' 1402 ' ' GLN . 16.9 pt-20 -61.26 -51.71 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' 1401 ' ' GLU . 23.2 pt20 -80.84 -29.69 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' 1404 ' ' GLU . . . -47.1 -60.15 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1404 ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' 1403 ' ' ALA . 7.9 tm-20 -37.48 -54.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.47 ' O ' HG23 ' A' 1409 ' ' VAL . 3.1 tmm? -56.87 -65.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.442 ' HA ' HD12 ' A' 1410 ' ' ILE . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.778 HG11 HD21 ' A' 1483 ' ' LEU . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' 1407 ' ' MET . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.538 ' CD2' ' SD ' ' A' 1482 ' ' MET . 1.9 m-70 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.805 HD23 ' CB ' ' A' 1447 ' ' SER . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1415 ' ' GLY . . . . . 0.629 ' O ' HD22 ' A' 1443 ' ' LEU . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1427 ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' 1437 ' ' VAL . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' 1415 ' ' GLY . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1448 ' ' VAL . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.805 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1444 ' ' LEU . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1455 ' ' VAL . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1451 ' ' LEU . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.578 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.5 m120 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.457 HG23 ' HD2' ' A' 1413 ' ' HIS . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.544 HG22 ' HD1' ' A' 1468 ' ' TYR . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.538 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.778 HD21 HG11 ' A' 1409 ' ' VAL . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -98.91 81.02 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -121.28 -77.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 2.4 m -125.09 171.82 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 125.09 104.64 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -61.11 138.87 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -120.48 97.83 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 3.3 m -126.74 42.43 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -106.16 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 4.6 m120 -99.87 121.48 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 34.2 tp -94.37 132.76 38.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 75.9 tttt -58.46 139.36 85.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1495 ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 54.0 Cg_endo -69.69 168.54 21.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -173.89 163.34 4.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 87.6 p -90.46 43.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 48.5 m -115.02 164.25 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -151.81 -59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.4 t -59.86 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 92.1 p -42.68 145.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -174.47 -87.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.93 37.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -166.06 137.14 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 1.1 t -81.47 -54.1 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' 1464 ' ' MET . 8.0 tp -87.54 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.0 t -108.8 96.69 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.79 -33.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' 1403 ' ' ALA . 21.9 p -68.9 177.37 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.54 -31.89 53.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.42 ' CD ' ' HE2' ' A' 1406 ' ' LYS . 2.4 tt0 -90.4 -29.24 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.468 ' HB2' ' OG1' ' A' 1400 ' ' THR . . . -41.43 -63.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -39.18 -48.34 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.656 ' O ' HG23 ' A' 1409 ' ' VAL . 5.1 ttp -61.12 -37.88 84.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1403 ' ' ALA . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.652 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1425 ' ' LEU . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1421 ' ' LEU . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1427 ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.478 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' 1443 ' ' LEU . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' 1448 ' ' VAL . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.736 ' HB2' HD23 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' 1444 ' ' LEU . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' 1455 ' ' VAL . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.552 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 1451 ' ' LEU . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.74 120.35 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 175.28 107.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.5 p -112.26 92.57 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -103.82 39.93 2.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -111.21 -42.26 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -73.03 112.26 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.9 t -169.72 144.43 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -71.62 67.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1493 ' ' LEU . 7.9 t30 -91.09 77.82 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.632 ' H ' HD23 ' A' 1493 ' ' LEU . 0.4 OUTLIER -35.35 144.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 23.4 tttt -132.59 82.32 57.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 156.06 64.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.283 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -154.06 147.01 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1388 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1389 ' ' SER . 50.7 m -51.78 152.24 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.814 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1389 ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' 1388 ' ' SER . 96.1 p -37.58 134.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -86.82 -93.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 34.3 t -97.77 -50.03 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.3 m 53.56 45.5 28.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -144.69 -158.1 7.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 178.02 5.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.06 76.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 5.0 m 44.24 52.26 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' 1397 ' ' LEU . 3.8 pp -76.93 -31.77 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 89.0 p -62.35 101.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.89 40.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.744 HG22 ' H ' ' A' 1402 ' ' GLN . 52.0 m -114.77 136.86 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' 1400 ' ' THR . 2.8 pm0 -37.46 -34.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.744 ' H ' HG22 ' A' 1400 ' ' THR . 1.2 mp0 -92.6 -58.27 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -34.06 -43.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.11 -49.72 75.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.541 ' O ' HG23 ' A' 1409 ' ' VAL . 38.1 ttp -62.67 -39.51 94.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.646 ' HE1' HD22 ' A' 1451 ' ' LEU . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.873 HG11 HD21 ' A' 1483 ' ' LEU . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.579 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.0 m-70 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1447 ' ' SER . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' 1448 ' ' VAL . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 27.1 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.602 ' HB2' HD23 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' 1444 ' ' LEU . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.646 HD22 ' HE1' ' A' 1407 ' ' MET . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.55 ' CZ3' HD12 ' A' 1467 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.407 ' O ' HD21 ' A' 1397 ' ' LEU . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.567 HD11 ' HE1' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' 1480 ' ' VAL . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.565 HD23 HD12 ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.495 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.873 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.8 91.08 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -55.0 102.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 73.0 p -143.44 118.95 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.73 176.17 17.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.78 171.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -129.46 145.37 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 7.7 t -108.81 149.33 29.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.69 126.68 31.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -156.09 121.05 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.8 tp 43.25 43.32 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 145.64 9.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 153.95 67.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' 1497 ' ' ARG . 5.7 p-10 -44.05 160.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1497 ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' 1496 ' ' ASP . 8.7 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 41.3 m -76.76 89.17 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 64.3 m -75.24 105.09 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -112.51 176.43 17.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 14.7 m -114.31 88.17 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.1 m -125.45 157.06 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -121.19 145.56 17.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.49 5.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -36.43 -91.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 t -107.43 114.03 27.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' 1463 ' ' ASN . 8.8 tp -107.76 145.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 47.5 t 45.46 51.43 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -175.61 84.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.551 ' H ' ' HB3' ' A' 1403 ' ' ALA . 1.5 t -169.71 169.39 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' 1402 ' ' GLN . 0.5 OUTLIER -40.82 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' C ' ' A' 1403 ' ' ALA . 78.9 mt-30 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' 1400 ' ' THR . . . -33.05 -43.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.25 -51.62 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.657 ' O ' HG23 ' A' 1409 ' ' VAL . 4.7 ttp -73.52 -34.24 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.481 ' HA ' HD12 ' A' 1410 ' ' ILE . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1405 ' ' MET . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.534 HD11 ' HE2' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' 1447 ' ' SER . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.533 ' HB2' HD12 ' A' 1414 ' ' LEU . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' 1448 ' ' VAL . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.829 ' HB3' HD23 ' A' 1414 ' ' LEU . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' 1444 ' ' LEU . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' 1455 ' ' VAL . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.433 HD12 ' NH1' ' A' 1457 ' ' ARG . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.45 ' CD1' HD22 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' 1451 ' ' LEU . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1457 ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.57 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.57 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.638 ' HA ' HD21 ' A' 1397 ' ' LEU . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.545 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' 1471 ' ' LEU . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.552 HG23 ' ND1' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.508 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1483 ' ' LEU . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -114.47 91.89 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -74.58 -89.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 21.2 t -117.2 -59.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.815 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 110.56 107.78 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -102.64 122.0 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -137.88 154.8 49.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 29.9 m 53.76 35.93 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.8 103.65 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 60.1 t30 62.06 51.83 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tp -94.09 123.17 37.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.4 tttt -121.35 139.03 28.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.88 10.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -174.74 111.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 3.2 t -61.47 140.84 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 92.6 p -72.77 169.25 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.46 68.33 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 41.1 t -141.14 112.64 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.4 p -98.91 155.46 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -128.86 -157.92 9.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -13.1 34.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.91 141.2 5.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 86.1 p -120.06 139.96 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' 1398 ' ' SER . 9.8 tp -44.83 -65.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' 1397 ' ' LEU . 27.0 p 35.52 44.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.37 92.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 77.3 m -104.08 132.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.124 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.472 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 2.4 pt-20 -38.11 -47.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.486 ' H ' HG22 ' A' 1400 ' ' THR . 2.2 mp0 -74.74 -48.1 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -34.01 -55.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -42.73 -56.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.603 ' O ' HG23 ' A' 1409 ' ' VAL . 11.9 tmm? -60.49 -37.84 82.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.462 ' OG ' HD12 ' A' 1474 ' ' ILE . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.415 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.639 ' HB2' HD13 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1422 ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1424 ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' 1437 ' ' VAL . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.66 ' CB ' HD23 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' 1455 ' ' VAL . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1451 ' ' LEU . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.593 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' 1468 ' ' TYR . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.604 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1468 ' ' TYR . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.527 HD21 HG11 ' A' 1409 ' ' VAL . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -74.56 -69.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 120.76 -135.02 10.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 4.5 m -127.38 -47.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 111.7 -171.37 14.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -173.6 132.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.8 131.48 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.4 t -126.24 146.0 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.84 119.6 6.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -47.86 -71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' 1494 ' ' LYS . 0.0 OUTLIER -50.65 157.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.829 ' N ' HD22 ' A' 1493 ' ' LEU . 2.8 ptpt -129.08 151.54 77.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.596 0.713 . . . . 0.0 110.865 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1495 ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' 1496 ' ' ASP . 53.8 Cg_endo -69.79 3.67 2.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1496 ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' 1495 ' ' PRO . 32.0 m-20 -33.3 126.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.7 m -67.53 137.78 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 87.9 p -69.25 102.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.64 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.3 t -99.62 91.77 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.3 m -53.96 161.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 88.46 -167.39 35.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 153.64 68.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.11 96.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.1 p -154.65 106.18 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' 1397 ' ' LEU . 1.2 pt? -87.05 143.18 27.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 75.5 m -133.57 77.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 52.49 64.3 4.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.682 HG23 ' H ' ' A' 1403 ' ' ALA . 9.5 t -87.54 162.57 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.167 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' 1402 ' ' GLN . 11.8 pt-20 -47.65 -43.11 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1401 ' ' GLU . 66.1 mt-30 -63.74 -51.43 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.682 ' H ' HG23 ' A' 1400 ' ' THR . . . -36.01 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -41.13 -56.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? -58.18 -62.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.44 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' 1451 ' ' LEU . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.56 HG23 HD21 ' A' 1471 ' ' LEU . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' 1444 ' ' LEU . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' 1447 ' ' SER . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.672 ' HA ' HD21 ' A' 1414 ' ' LEU . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.539 HD23 HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.743 HD23 ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.482 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.482 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.408 HG22 ' HG2' ' A' 1446 ' ' GLN . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.43 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1416 ' ' LEU . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' 1448 ' ' VAL . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' 1414 ' ' LEU . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1444 ' ' LEU . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.435 ' HB3' ' HE3' ' A' 1407 ' ' MET . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.743 ' CD1' HD23 ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.474 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' 1471 ' ' LEU . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' 1468 ' ' TYR . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.52 ' HD2' HD11 ' A' 1479 ' ' ILE . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.631 HG23 ' ND1' ' A' 1413 ' ' HIS . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.83 174.25 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 155.27 57.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 1.9 t -169.56 137.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.45 141.32 16.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' 1488 ' ' ARG . 0.0 OUTLIER -80.16 155.47 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -149.71 142.0 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 16.5 t -173.75 152.71 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -114.6 140.41 48.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.38 165.5 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' 1494 ' ' LYS . 12.4 tp -118.41 153.17 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.468 ' N ' ' HG ' ' A' 1493 ' ' LEU . 1.7 pptp? -124.93 147.26 56.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.03 49.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 169.56 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.1 t -97.74 -43.46 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.3 t 57.39 42.56 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 173.05 -105.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.5 t 48.5 37.77 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.8 t -135.98 128.52 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 158.51 83.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -178.02 2.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 96.74 -79.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 73.4 m -161.58 159.05 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 60.3 mt -43.85 159.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.5 t -67.68 -38.84 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.01 88.54 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.2 p -66.9 -175.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' 1402 ' ' GLN . 10.8 pt-20 -71.06 -53.22 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.422 ' N ' ' CG ' ' A' 1401 ' ' GLU . 25.9 pt20 -73.19 -30.51 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.49 -56.68 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -43.14 -46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.489 ' O ' HG23 ' A' 1409 ' ' VAL . 9.0 ttt -60.1 -49.46 77.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.802 HD23 ' OG ' ' A' 1447 ' ' SER . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.645 ' HA ' HD21 ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' 1421 ' ' LEU . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1424 ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' 1448 ' ' VAL . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.802 ' OG ' HD23 ' A' 1414 ' ' LEU . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' 1444 ' ' LEU . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1455 ' ' VAL . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.58 ' CD1' HD13 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' 1451 ' ' LEU . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 1468 ' ' TYR . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -114.34 120.15 39.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -97.24 -47.35 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 8.2 t -78.9 104.4 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.99 0.424 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -120.92 176.86 16.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -44.24 147.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -95.74 124.07 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 81.2 p -109.52 147.69 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.38 123.45 50.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.44 138.05 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.3 109.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 30.6 ttpt -174.2 139.73 0.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.835 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1495 ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.77 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1496 ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' 1497 ' ' ARG . 29.7 m-20 -138.47 160.64 39.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1497 ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' 1496 ' ' ASP . 5.4 tmm_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.7 t -75.16 142.36 43.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 47.4 m -152.86 111.32 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -63.1 148.9 50.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.1 p -144.49 120.59 10.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 13.4 t -110.33 85.81 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -162.49 -164.2 16.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 174.95 8.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.43 120.42 4.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 96.7 p -89.04 -45.38 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.73 73.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' 1399 ' ' GLY . 92.9 p -102.6 86.59 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1399 ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' 1398 ' ' SER . . . 35.74 86.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 25.0 m -89.47 144.37 26.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.117 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.21 -33.45 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' 1405 ' ' MET . 25.5 pt20 -95.25 -47.9 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.486 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -33.34 -41.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.67 -49.61 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.52 ' O ' HG23 ' A' 1409 ' ' VAL . 24.0 ttp -63.92 -42.23 97.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.613 HG11 HD21 ' A' 1483 ' ' LEU . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' 1483 ' ' LEU . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' 1418 ' ' TRP . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.611 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.514 ' HB3' HG21 ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' 1437 ' ' VAL . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.472 ' NE2' ' NE1' ' A' 1418 ' ' TRP . 28.7 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.538 ' CB ' HD23 ' A' 1414 ' ' LEU . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.611 HD22 ' HE3' ' A' 1418 ' ' TRP . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.553 ' CZ3' HD12 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.627 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG13 ' A' 1480 ' ' VAL . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' 1468 ' ' TYR . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.613 HD21 HG11 ' A' 1409 ' ' VAL . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -120.71 -71.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 70.76 -167.16 51.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.428 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 24.6 t -147.56 120.22 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -172.1 -144.1 4.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -62.47 170.02 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1489 ' ' GLN . . . . . 0.46 ' CG ' ' HG2' ' A' 1491 ' ' ARG . 3.8 pm0 -73.38 -34.2 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1490 ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' 1489 ' ' GLN . 7.2 t 38.33 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1491 ' ' ARG . . . . . 0.46 ' HG2' ' CG ' ' A' 1489 ' ' GLN . 8.8 ptm180 -101.48 127.16 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -172.06 164.5 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 44.3 mt -81.17 100.83 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 143.75 39.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.97 20.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 27.0 t0 -77.5 109.07 11.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 95.6 p -142.59 118.42 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.0 p -83.55 121.62 27.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.33 150.88 18.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.0 p -167.22 170.06 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.0 t -148.25 139.86 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -77.95 154.79 41.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 130.46 114.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1396 ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' 1459 ' ' GLY . 46.5 m -88.84 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' 1399 ' ' GLY . 0.2 OUTLIER -71.33 114.36 9.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' 1397 ' ' LEU . 18.4 t -34.5 -45.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1399 ' ' GLY . . . . . 0.517 ' H ' HD12 ' A' 1397 ' ' LEU . . . 87.89 127.28 2.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 87.1 m -160.58 139.77 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.108 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' 1400 ' ' THR . 5.9 tt0 -34.78 -54.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.35 -42.19 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.6 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -42.72 -48.84 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -44.57 -54.93 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp -57.53 -55.57 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' 1410 ' ' ILE . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.956 HG11 HD21 ' A' 1483 ' ' LEU . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' 1406 ' ' LYS . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.591 ' CD2' ' SD ' ' A' 1482 ' ' MET . 2.1 m-70 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.574 HD12 HD21 ' A' 1450 ' ' LEU . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' 1448 ' ' VAL . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 18.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.737 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1444 ' ' LEU . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.574 HD21 HD12 ' A' 1421 ' ' LEU . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' 1455 ' ' VAL . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1451 ' ' LEU . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.91 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1459 ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' 1396 ' ' SER . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' 1471 ' ' LEU . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.595 HD11 ' HG3' ' A' 1476 ' ' ARG . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.595 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' 1468 ' ' TYR . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.956 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.19 -69.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 146.35 -100.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 96.5 p -145.13 146.27 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -94.75 -70.98 1.11 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -119.75 116.47 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.37 129.01 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 41.4 t -79.29 80.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.07 93.42 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -102.83 139.78 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.72 124.68 31.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.475 ' CD ' ' HD2' ' A' 1495 ' ' PRO . 3.8 tppp? -156.94 137.5 9.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1495 ' ' PRO . . . . . 0.475 ' HD2' ' CD ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.75 -40.19 5.63 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -48.62 152.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.833 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 19.9 m -81.51 -54.56 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 10.7 t -62.25 117.53 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -177.58 157.32 21.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 21.0 m -136.41 157.5 46.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.4 m -121.32 -53.11 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 63.89 73.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.83 6.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.85 154.48 24.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.2 t -133.83 137.12 44.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.429 HD12 ' C ' ' A' 1397 ' ' LEU . 3.2 pp -148.47 139.59 23.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 4.6 m -125.47 84.79 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.6 122.23 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.424 ' CG2' ' H ' ' A' 1403 ' ' ALA . 12.6 t -149.82 162.75 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' 1402 ' ' GLN . 4.1 pm0 -43.51 -42.49 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.438 ' N ' ' HG2' ' A' 1401 ' ' GLU . 1.7 tt0 -73.24 -68.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.424 ' H ' ' CG2' ' A' 1400 ' ' THR . . . -41.52 -55.43 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1404 ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' 1403 ' ' ALA . 12.6 mt-10 -37.63 -51.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp -63.22 -46.57 86.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.548 HG13 ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' 1409 ' ' VAL . 2.5 m-70 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.729 HD23 ' CB ' ' A' 1447 ' ' SER . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.531 ' HE3' HD12 ' A' 1450 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1422 ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' 1435 ' ' ILE . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' 1432 ' ' ILE . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' 1448 ' ' VAL . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.729 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' 1444 ' ' LEU . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' 1455 ' ' VAL . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.529 ' CZ3' HD12 ' A' 1467 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' 1451 ' ' LEU . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.529 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.414 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.37 163.83 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -123.11 -90.41 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 3.8 m -116.23 143.08 45.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -139.76 113.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -81.65 171.66 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.42 101.26 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 129.89 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -135.7 140.35 44.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.23 166.01 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' 1493 ' ' LEU . 4.6 pp -174.4 172.77 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 142.55 22.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.95 55.25 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -173.34 157.0 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 50.8 m -142.2 144.17 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 134.45 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -115.77 -74.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 83.2 p -95.15 97.48 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 78.1 p -78.7 -50.86 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.49 74.82 1.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 92.19 121.74 2.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.1 p -42.65 150.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.785 ' H ' HD23 ' A' 1397 ' ' LEU . 0.3 OUTLIER -66.76 -40.89 88.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' 1397 ' ' LEU . 74.9 p 36.46 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.14 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.719 HG22 ' H ' ' A' 1402 ' ' GLN . 98.6 m -90.52 134.6 34.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -38.9 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.719 ' H ' HG22 ' A' 1400 ' ' THR . 8.4 mm100 -90.43 -43.53 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -33.98 -61.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1404 ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' 1403 ' ' ALA . 3.1 tm-20 -35.48 -57.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp -57.83 -60.76 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' 1447 ' ' SER . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' 1416 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1420 ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1471 ' ' LEU . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.469 HG12 HD22 ' A' 1433 ' ' ASN . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' 1414 ' ' LEU . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1444 ' ' LEU . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' 1455 ' ' VAL . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' 1467 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' 1451 ' ' LEU . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.584 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.939 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' 1468 ' ' TYR . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' 1413 ' ' HIS . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' 1483 ' ' LEU . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.3 165.04 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -131.04 -166.65 11.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 16.8 m -149.56 143.57 25.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -116.25 -119.59 3.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -62.56 135.34 57.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -99.27 -43.5 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 55.9 p -118.55 87.66 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -85.62 41.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -43.92 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 1.5 pt? -164.08 158.03 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.1 mttt -70.38 142.57 89.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -168.42 134.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 36.0 m -155.48 167.28 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.6 t -84.22 87.22 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.33 140.61 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 13.3 t -108.75 144.99 35.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.2 m -86.12 95.36 9.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 151.68 87.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -151.11 -124.72 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 t -160.26 135.94 8.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.3 tt -100.86 78.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 7.1 t -104.08 30.68 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.97 88.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' 1401 ' ' GLU . 8.6 t -91.53 167.61 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.1 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 5.9 pt-20 -36.22 -48.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' A' 1401 ' ' GLU . 3.3 mp0 -61.61 -50.77 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -35.74 -48.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.58 -54.95 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.553 ' O ' HG23 ' A' 1409 ' ' VAL . 31.6 ttp -53.64 -48.96 68.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.826 HG11 HD21 ' A' 1483 ' ' LEU . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' 1464 ' ' MET . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1411 ' ' SER . . . . . 0.541 ' OG ' HD11 ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.504 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.628 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1424 ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.65 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.541 HG12 HD22 ' A' 1433 ' ' ASN . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.541 HD22 HG12 ' A' 1429 ' ' VAL . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.659 ' CB ' HD23 ' A' 1414 ' ' LEU . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' 1455 ' ' VAL . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.65 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1451 ' ' LEU . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.704 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.567 ' HE2' HD11 ' A' 1410 ' ' ILE . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.834 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1468 ' ' TYR . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.826 HD21 HG11 ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -101.89 99.55 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -142.32 -105.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 36.8 m -156.91 166.37 33.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -163.59 -133.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -95.68 92.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -174.37 117.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.0 t -158.59 141.67 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -69.89 98.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 3.2 m120 -92.26 124.04 36.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.17 153.61 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.7 143.73 47.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.27 161.6 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 32.0 t -116.21 126.33 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 66.2 m -137.19 139.0 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -111.34 138.12 14.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.7 t -106.77 161.16 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 10.3 m -128.53 99.5 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 164.34 68.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.41 60.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -173.55 -152.02 8.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 13.6 t -122.64 96.42 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.78 115.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 58.6 m -111.04 -47.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 139.73 131.63 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' 1403 ' ' ALA . 0.1 OUTLIER -143.17 144.77 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -39.37 -39.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.3 -39.33 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' 1400 ' ' THR . . . -51.14 -50.74 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.67 -48.21 49.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp -60.12 -60.7 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' 1410 ' ' ILE . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' 1407 ' ' MET . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 1418 ' ' TRP . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.603 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.605 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' HD21 ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.532 HG23 ' CH2' ' A' 1418 ' ' TRP . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' HG13 ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1437 ' ' VAL . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m120 -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1448 ' ' VAL . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1444 ' ' LEU . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.603 HD22 ' HE3' ' A' 1418 ' ' TRP . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.472 HD21 ' OD1' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 4.9 m120 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1476 ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' 1483 ' ' LEU . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -92.66 119.52 32.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 138.66 95.25 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.6 m -143.48 172.55 12.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 124.04 74.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 99.24 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1489 ' ' GLN . . . . . 0.431 ' CD ' ' O ' ' A' 1489 ' ' GLN . 0.1 OUTLIER 41.22 41.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.3 t -124.97 87.05 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -97.16 97.22 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1492 ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' 1492 ' ' ASN . 2.8 p30 -67.15 161.02 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.94 114.16 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -105.47 127.93 27.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.731 2.287 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -85.71 140.33 30.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 21.2 m -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.3 p -51.11 117.27 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 179.29 147.82 7.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.04 133.67 54.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 62.4 p -127.63 175.5 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 157.19 -162.94 32.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.64 52.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -157.41 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.8 m -125.05 133.77 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 2.0 tp -108.47 117.9 35.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 17.7 t -124.46 78.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 38.73 67.59 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.695 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 15.3 m -56.51 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 0.0 111.176 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' 1401 ' ' GLU . 3.0 pm0 -45.01 -39.35 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.27 -27.93 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.695 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -44.56 -57.01 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.78 -50.05 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? -61.3 -45.55 94.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.623 HG11 HD21 ' A' 1483 ' ' LEU . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' 1447 ' ' SER . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.504 ' CH2' HG23 ' A' 1432 ' ' ILE . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.811 HD13 HD23 ' A' 1471 ' ' LEU . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.779 HD23 ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1427 ' ' PHE . . . . . 0.474 ' CE1' HD23 ' A' 1453 ' ' LEU . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1429 ' ' VAL . . . . . 0.443 HG12 HD22 ' A' 1433 ' ' ASN . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.504 HG23 ' CH2' ' A' 1418 ' ' TRP . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' 1446 ' ' GLN . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' 1448 ' ' VAL . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' 1435 ' ' ILE . 24.0 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1444 ' ' LEU . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' 1418 ' ' TRP . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' 1427 ' ' PHE . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.779 ' CD1' HD23 ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1470 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1474 ' ' ILE . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.811 HD23 HD13 ' A' 1421 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' 1470 ' ' ALA . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.407 HG23 ' ND1' ' A' 1413 ' ' HIS . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.623 HD21 HG11 ' A' 1409 ' ' VAL . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.3 138.53 31.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -141.39 138.45 8.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 13.1 t -86.51 103.24 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -168.0 -164.57 23.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -96.73 142.75 28.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -132.23 141.31 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 37.2 m -41.58 -59.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 39.1 43.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -106.84 90.34 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' 1493 ' ' LEU . 0.6 OUTLIER -46.35 106.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.6 mttp -90.24 150.59 43.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.677 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -16.44 37.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.01 155.44 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 16.6 m -80.56 108.1 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 73.6 p -48.93 158.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 143.45 68.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 38.9 p -53.88 106.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.8 t -90.76 117.07 29.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -91.6 158.16 25.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.58 33.33 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 139.43 133.18 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.8 p -122.49 167.7 13.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.87 134.27 56.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 42.5 t -117.11 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 89.66 117.05 1.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.533 HG23 ' H ' ' A' 1403 ' ' ALA . 5.7 t -123.72 -175.63 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' A' 1400 ' ' THR . 8.7 tt0 -61.1 -69.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' 1403 ' ' ALA . 16.8 pt20 -45.53 -47.52 14.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.533 ' H ' HG23 ' A' 1400 ' ' THR . . . -33.81 -64.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1404 ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' 1403 ' ' ALA . 11.3 tt0 -35.36 -59.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp -56.11 -57.83 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1411 ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' 1451 ' ' LEU . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.809 HD23 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.467 ' OG ' HD11 ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.641 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1422 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.444 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1432 ' ' ILE . . . . . 0.421 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1444 ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 19.2 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.809 ' CB ' HD23 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1448 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1444 ' ' LEU . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' 1455 ' ' VAL . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' 1451 ' ' LEU . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1458 ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.582 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1465 ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.768 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.634 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1421 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1474 ' ' ILE . . . . . 0.467 HD11 ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.598 HD21 HG11 ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -95.04 114.61 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -152.64 145.34 12.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 58.6 m -107.45 -50.62 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 123.24 63.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -67.94 138.45 55.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 54.04 40.93 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 10.5 t -80.16 103.8 10.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -96.97 44.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1492 ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' 1492 ' ' ASN . 2.0 p30 -145.43 168.28 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 21.4 mt -112.06 122.65 48.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1494 ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' 1494 ' ' LYS . 2.4 pptp? -38.78 142.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.33 131.99 42.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 27.5 t -135.25 126.99 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 44.8 t -152.33 128.9 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.04 -47.87 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.6 m -154.58 106.28 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.3 t -123.15 -51.49 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 50.61 -159.1 1.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.89 2.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 109.93 79.62 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.2 p -127.03 137.38 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1397 ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' 1397 ' ' LEU . 6.5 tt -146.63 145.54 30.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1398 ' ' SER . . . . . 0.56 ' N ' HD23 ' A' 1397 ' ' LEU . 34.8 p -158.43 152.35 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1399 ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' 1398 ' ' SER . . . -37.55 106.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1400 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1403 ' ' ALA . 8.8 t -122.9 168.48 12.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1401 ' ' GLU . . . . . 0.419 ' HG2' ' NE2' ' A' 1402 ' ' GLN . 7.1 pm0 -46.99 -35.71 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1402 ' ' GLN . . . . . 0.419 ' NE2' ' HG2' ' A' 1401 ' ' GLU . 19.6 mp0 -72.32 -51.39 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1403 ' ' ALA . . . . . 0.446 ' H ' HG23 ' A' 1400 ' ' THR . . . -42.7 -56.74 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -42.57 -51.9 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp -59.39 -66.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1409 ' ' VAL . . . . . 0.842 HG11 HD21 ' A' 1483 ' ' LEU . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1413 ' ' HIS . . . . . 0.582 ' CD2' ' SD ' ' A' 1482 ' ' MET . 1.8 m-70 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1414 ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1417 ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' 1414 ' ' LEU . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1421 ' ' LEU . . . . . 0.454 HD13 HD23 ' A' 1471 ' ' LEU . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1425 ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1427 ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' 1425 ' ' LEU . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1430 ' ' GLU . . . . . 0.479 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1431 ' ' ASP . . . . . 0.553 ' OD2' HD21 ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1435 ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' 1446 ' ' GLN . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1437 ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' 1437 ' ' VAL . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1446 ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1447 ' ' SER . . . . . 0.619 ' CB ' HD23 ' A' 1414 ' ' LEU . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1450 ' ' LEU . . . . . 0.512 HD22 ' HE3' ' A' 1418 ' ' TRP . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1451 ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' 1455 ' ' VAL . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1453 ' ' LEU . . . . . 0.553 HD21 ' OD2' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1454 ' ' TRP . . . . . 0.6 ' CZ3' HD12 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1451 ' ' LEU . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1467 ' ' LEU . . . . . 0.6 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1468 ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' 1480 ' ' VAL . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' 1467 ' ' LEU . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1479 ' ' ILE . . . . . 0.486 HG23 ' HD2' ' A' 1413 ' ' HIS . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1480 ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CD2' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1483 ' ' LEU . . . . . 0.842 HD21 HG11 ' A' 1409 ' ' VAL . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -104.99 91.8 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -115.36 94.67 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 17.2 t -108.41 117.49 34.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1487 ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' 1488 ' ' ARG . . . -75.61 97.45 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1488 ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' 1487 ' ' GLY . 0.3 OUTLIER -33.01 126.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -119.36 144.95 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 51.1 m -87.92 109.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1491 ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' 1491 ' ' ARG . 8.0 mtp-105 -85.78 108.72 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.17 130.71 35.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1493 ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' 1493 ' ' LEU . 2.1 pp -131.16 54.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 81.8 7.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.702 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -4.64 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 17.9 m-20 47.59 51.4 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.903 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.841 HG11 HD21 ' A' 1483 ' ' LEU . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.577 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.3 m170 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' 1447 ' ' SER . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.454 ' OG ' HD12 ' A' 1414 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.599 ' HA ' HD21 ' A' 1414 ' ' LEU . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' 1474 ' ' ILE . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' 1471 ' ' LEU . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . 0.526 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.419 HG23 ' CH2' ' A' 1418 ' ' TRP . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.427 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' 1448 ' ' VAL . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' 1414 ' ' LEU . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1444 ' ' LEU . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' 1422 ' ' ALA . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.556 ' CZ3' HD12 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.597 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.597 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.556 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.718 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' 1468 ' ' TYR . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' 1420 ' ' GLU . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.841 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.412 ' O ' HG23 ' A' 1409 ' ' VAL . 25.3 ttp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.899 0.381 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.505 ' HA ' HD12 ' A' 1410 ' ' ILE . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.644 HG11 HD21 ' A' 1483 ' ' LEU . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' 1407 ' ' MET . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.572 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.8 m170 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' 1447 ' ' SER . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.442 ' HB2' HD12 ' A' 1414 ' ' LEU . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.513 HG12 HD22 ' A' 1433 ' ' ASN . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' 1435 ' ' ILE . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.513 HD22 HG12 ' A' 1429 ' ' VAL . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' 1432 ' ' ILE . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.428 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.528 HD23 ' OE1' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' 1448 ' ' VAL . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.528 ' OE1' HD23 ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' 1444 ' ' LEU . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.566 HD22 ' HE3' ' A' 1418 ' ' TRP . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.693 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' 1467 ' ' LEU . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.693 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.652 ' CD1' HG22 ' A' 1480 ' ' VAL . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 1468 ' ' TYR . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.514 HD11 ' HG3' ' A' 1476 ' ' ARG . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.514 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.422 HG21 ' HA ' ' A' 1410 ' ' ILE . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.572 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.644 HD21 HG11 ' A' 1409 ' ' VAL . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.855 0.359 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' 1410 ' ' ILE . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.878 HG11 HD21 ' A' 1483 ' ' LEU . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' 1407 ' ' MET . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.653 ' CE1' HG13 ' A' 1409 ' ' VAL . 3.4 m170 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.685 HD23 ' CB ' ' A' 1447 ' ' SER . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' 1443 ' ' LEU . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1416 ' ' LEU . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' 1414 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.533 ' HA ' HD21 ' A' 1414 ' ' LEU . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' 1421 ' ' LEU . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.454 HG12 HD22 ' A' 1433 ' ' ASN . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.464 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' 1415 ' ' GLY . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' 1448 ' ' VAL . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.685 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1444 ' ' LEU . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1455 ' ' VAL . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.512 ' CZ3' HD12 ' A' 1467 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1451 ' ' LEU . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 16.3 m-80 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.512 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.878 HD21 HG11 ' A' 1409 ' ' VAL . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.856 0.36 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' 1444 ' ' LEU . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' 1447 ' ' SER . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.525 HD22 HD21 ' A' 1471 ' ' LEU . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.448 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' 1446 ' ' GLN . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' 1412 ' ' GLU . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.445 ' OE1' HD23 ' A' 1443 ' ' LEU . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.7 ' CB ' HD23 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.51 HD22 ' HE3' ' A' 1418 ' ' TRP . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' 1455 ' ' VAL . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' 1467 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' 1451 ' ' LEU . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.528 ' HG3' ' CZ ' ' A' 1468 ' ' TYR . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' 1464 ' ' MET . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.488 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.47 ' O ' HG23 ' A' 1409 ' ' VAL . 3.1 tmm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.835 0.35 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.442 ' HA ' HD12 ' A' 1410 ' ' ILE . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.778 HG11 HD21 ' A' 1483 ' ' LEU . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' 1407 ' ' MET . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.584 ' CE1' ' SD ' ' A' 1482 ' ' MET . 2.8 m170 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.805 HD23 ' CB ' ' A' 1447 ' ' SER . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . 0.629 ' O ' HD22 ' A' 1443 ' ' LEU . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' 1437 ' ' VAL . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' 1415 ' ' GLY . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1448 ' ' VAL . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.805 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1444 ' ' LEU . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1455 ' ' VAL . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1451 ' ' LEU . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.578 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' 1410 ' ' ILE . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.544 HG22 ' HD1' ' A' 1468 ' ' TYR . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.778 HD21 HG11 ' A' 1409 ' ' VAL . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.656 ' O ' HG23 ' A' 1409 ' ' VAL . 5.1 ttp . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.865 0.364 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.652 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1425 ' ' LEU . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1421 ' ' LEU . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.478 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' 1443 ' ' LEU . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' 1448 ' ' VAL . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.736 ' HB2' HD23 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' 1444 ' ' LEU . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' 1455 ' ' VAL . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.552 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 1451 ' ' LEU . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.615 HD22 ' N ' ' A' 1464 ' ' MET . 0.1 OUTLIER -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.615 ' N ' HD22 ' A' 1463 ' ' ASN . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.541 ' O ' HG23 ' A' 1409 ' ' VAL . 38.1 ttp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.646 ' HE1' HD22 ' A' 1451 ' ' LEU . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.873 HG11 HD21 ' A' 1483 ' ' LEU . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.575 ' CE1' ' CE ' ' A' 1482 ' ' MET . 4.8 m170 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1447 ' ' SER . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' 1448 ' ' VAL . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 42.4 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.602 ' HB2' HD23 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' 1444 ' ' LEU . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.646 HD22 ' HE1' ' A' 1407 ' ' MET . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.55 ' CZ3' HD12 ' A' 1467 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.567 HD11 ' HE1' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' 1480 ' ' VAL . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.565 HD23 HD12 ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.575 ' CE ' ' CE1' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.873 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.657 ' O ' HG23 ' A' 1409 ' ' VAL . 4.7 ttp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.481 ' HA ' HD12 ' A' 1410 ' ' ILE . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1405 ' ' MET . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.534 HD11 ' HE2' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' 1447 ' ' SER . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.533 ' HB2' HD12 ' A' 1414 ' ' LEU . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' 1448 ' ' VAL . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.829 ' HB3' HD23 ' A' 1414 ' ' LEU . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' 1444 ' ' LEU . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' 1455 ' ' VAL . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.433 HD12 ' NH1' ' A' 1457 ' ' ARG . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.45 ' CD1' HD22 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' 1451 ' ' LEU . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.57 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.57 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1464 ' ' MET . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.545 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' 1471 ' ' LEU . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.552 HG23 ' ND1' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.508 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1483 ' ' LEU . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.603 ' O ' HG23 ' A' 1409 ' ' VAL . 11.9 tmm? . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.876 0.37 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.462 ' OG ' HD12 ' A' 1474 ' ' ILE . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.415 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.639 ' HB2' HD13 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' 1437 ' ' VAL . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.66 ' CB ' HD23 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' 1455 ' ' VAL . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1451 ' ' LEU . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.593 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' 1464 ' ' MET . 0.2 OUTLIER -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.571 ' N ' HD22 ' A' 1463 ' ' ASN . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' 1468 ' ' TYR . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.604 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1468 ' ' TYR . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.527 HD21 HG11 ' A' 1409 ' ' VAL . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.44 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' 1451 ' ' LEU . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.56 HG23 HD21 ' A' 1471 ' ' LEU . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' 1444 ' ' LEU . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' 1447 ' ' SER . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.672 ' HA ' HD21 ' A' 1414 ' ' LEU . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.539 HD23 HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.743 HD23 ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.482 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.482 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.408 HG22 ' HG2' ' A' 1446 ' ' GLN . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.43 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1416 ' ' LEU . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' 1448 ' ' VAL . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' 1414 ' ' LEU . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1444 ' ' LEU . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.435 ' HB3' ' HE3' ' A' 1407 ' ' MET . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.743 ' CD1' HD23 ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.474 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' 1471 ' ' LEU . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' 1468 ' ' TYR . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.52 ' HD2' HD11 ' A' 1479 ' ' ILE . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.631 HG23 ' ND1' ' A' 1413 ' ' HIS . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.489 ' O ' HG23 ' A' 1409 ' ' VAL . 9.0 ttt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.802 HD23 ' OG ' ' A' 1447 ' ' SER . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.645 ' HA ' HD21 ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' 1421 ' ' LEU . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' 1448 ' ' VAL . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.802 ' OG ' HD23 ' A' 1414 ' ' LEU . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' 1444 ' ' LEU . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1455 ' ' VAL . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.58 ' CD1' HD13 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' 1451 ' ' LEU . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 1468 ' ' TYR . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.52 ' O ' HG23 ' A' 1409 ' ' VAL . 24.0 ttp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.819 0.342 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.613 HG11 HD21 ' A' 1483 ' ' LEU . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' 1483 ' ' LEU . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' 1418 ' ' TRP . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.611 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.514 ' HB3' HG21 ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' 1437 ' ' VAL . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' 1443 ' ' LEU . 41.8 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.538 ' CB ' HD23 ' A' 1414 ' ' LEU . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.611 HD22 ' HE3' ' A' 1418 ' ' TRP . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.553 ' CZ3' HD12 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.627 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG13 ' A' 1480 ' ' VAL . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' 1468 ' ' TYR . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.613 HD21 HG11 ' A' 1409 ' ' VAL . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' 1410 ' ' ILE . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.956 HG11 HD21 ' A' 1483 ' ' LEU . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' 1406 ' ' LYS . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.574 ' CE1' ' SD ' ' A' 1482 ' ' MET . 4.4 m170 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.574 HD12 HD21 ' A' 1450 ' ' LEU . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' 1448 ' ' VAL . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 23.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.737 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1444 ' ' LEU . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.574 HD21 HD12 ' A' 1421 ' ' LEU . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' 1455 ' ' VAL . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1451 ' ' LEU . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.91 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' 1471 ' ' LEU . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.595 HD11 ' HG3' ' A' 1476 ' ' ARG . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.595 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' 1468 ' ' TYR . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.956 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.815 0.34 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.666 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.666 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.5 m170 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.729 HD23 ' CB ' ' A' 1447 ' ' SER . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.531 ' HE3' HD12 ' A' 1450 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' 1435 ' ' ILE . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' 1432 ' ' ILE . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' 1448 ' ' VAL . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.729 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' 1444 ' ' LEU . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' 1455 ' ' VAL . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.529 ' CZ3' HD12 ' A' 1467 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' 1451 ' ' LEU . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.529 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.859 0.361 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' 1447 ' ' SER . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' 1416 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1471 ' ' LEU . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.469 HG12 HD22 ' A' 1433 ' ' ASN . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' 1414 ' ' LEU . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1444 ' ' LEU . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' 1455 ' ' VAL . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' 1467 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' 1451 ' ' LEU . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.584 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.939 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' 1468 ' ' TYR . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' 1413 ' ' HIS . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' 1483 ' ' LEU . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.553 ' O ' HG23 ' A' 1409 ' ' VAL . 31.6 ttp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.823 0.345 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.826 HG11 HD21 ' A' 1483 ' ' LEU . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' 1464 ' ' MET . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . 0.541 ' OG ' HD11 ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.504 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.628 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.65 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.541 HG12 HD22 ' A' 1433 ' ' ASN . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.541 HD22 HG12 ' A' 1429 ' ' VAL . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.659 ' CB ' HD23 ' A' 1414 ' ' LEU . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' 1455 ' ' VAL . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.65 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1451 ' ' LEU . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.704 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.567 ' HE2' HD11 ' A' 1410 ' ' ILE . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.834 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1468 ' ' TYR . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.826 HD21 HG11 ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.89 0.376 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' 1410 ' ' ILE . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' 1407 ' ' MET . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 1418 ' ' TRP . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.603 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.605 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' HD21 ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.532 HG23 ' CH2' ' A' 1418 ' ' TRP . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' HG13 ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1437 ' ' VAL . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 0.2 OUTLIER -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1448 ' ' VAL . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1444 ' ' LEU . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.603 HD22 ' HE3' ' A' 1418 ' ' TRP . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.472 HD21 ' OD1' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' 1483 ' ' LEU . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.623 HG11 HD21 ' A' 1483 ' ' LEU . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' 1447 ' ' SER . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.504 ' CH2' HG23 ' A' 1432 ' ' ILE . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.811 HD13 HD23 ' A' 1471 ' ' LEU . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.779 HD23 ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . 0.474 ' CE1' HD23 ' A' 1453 ' ' LEU . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . 0.443 HG12 HD22 ' A' 1433 ' ' ASN . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.504 HG23 ' CH2' ' A' 1418 ' ' TRP . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' 1446 ' ' GLN . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' 1448 ' ' VAL . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.3 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1444 ' ' LEU . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' 1418 ' ' TRP . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' 1427 ' ' PHE . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.779 ' CD1' HD23 ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1474 ' ' ILE . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.811 HD23 HD13 ' A' 1421 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' 1470 ' ' ALA . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . 0.407 HG23 ' ND1' ' A' 1413 ' ' HIS . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.623 HD21 HG11 ' A' 1409 ' ' VAL . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' 1451 ' ' LEU . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.809 HD23 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.467 ' OG ' HD11 ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.641 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.444 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . 0.421 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 30.7 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.809 ' CB ' HD23 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1444 ' ' LEU . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' 1455 ' ' VAL . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' 1451 ' ' LEU . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.582 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.768 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.634 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1421 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . 0.467 HD11 ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.598 HD21 HG11 ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1409 ' ' VAL . . . . . 0.842 HG11 HD21 ' A' 1483 ' ' LEU . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1413 ' ' HIS . . . . . 0.586 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.4 m170 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1414 ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1417 ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' 1414 ' ' LEU . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1421 ' ' LEU . . . . . 0.454 HD13 HD23 ' A' 1471 ' ' LEU . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1425 ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1427 ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' 1425 ' ' LEU . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1430 ' ' GLU . . . . . 0.479 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1431 ' ' ASP . . . . . 0.553 ' OD2' HD21 ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1435 ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' 1446 ' ' GLN . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1437 ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' 1437 ' ' VAL . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1446 ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1447 ' ' SER . . . . . 0.619 ' CB ' HD23 ' A' 1414 ' ' LEU . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1450 ' ' LEU . . . . . 0.512 HD22 ' HE3' ' A' 1418 ' ' TRP . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1451 ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' 1455 ' ' VAL . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1453 ' ' LEU . . . . . 0.553 HD21 ' OD2' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1454 ' ' TRP . . . . . 0.6 ' CZ3' HD12 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1451 ' ' LEU . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1467 ' ' LEU . . . . . 0.6 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1468 ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' 1480 ' ' VAL . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' 1467 ' ' LEU . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1480 ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1483 ' ' LEU . . . . . 0.842 HD21 HG11 ' A' 1409 ' ' VAL . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.451 -0.259 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 25.1 m -117.03 -58.35 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.843 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 93.2 p -68.18 139.94 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.836 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -179.35 91.62 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.3 m -147.15 126.23 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.827 0.346 . . . . 0.0 110.886 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 56.5 p -45.28 124.78 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 147.58 66.4 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.634 2.223 . . . . 0.0 112.32 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -160.11 47.41 0.4 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.7 p -67.44 119.73 12.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.93 0.395 . . . . 0.0 110.835 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.496 ' C ' HD23 ' A' 1397 ' ' LEU . 2.5 tt -124.91 110.39 14.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.465 ' N ' HD23 ' A' 1397 ' ' LEU . 5.1 p 53.43 39.23 29.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -135.84 30.92 2.7 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' 1401 ' ' GLU . 1.8 t -134.21 146.59 50.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.152 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1400 ' ' THR . 4.9 pt-20 -34.46 -54.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -50.0 -59.5 3.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.13 -58.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -47.22 -51.21 19.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 2.7 tmm? -57.43 -59.91 4.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.458 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.3 OUTLIER -45.83 -68.22 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 20.1 mtp -40.46 -61.96 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.34 -55.22 9.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.841 HG11 HD21 ' A' 1483 ' ' LEU . 49.9 t -52.09 -54.78 12.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 85.8 mt -44.22 -44.9 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 5.3 p -70.53 -34.22 72.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -57.71 -45.42 85.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.577 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.3 m170 -81.75 -41.06 21.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' 1447 ' ' SER . 18.1 tp -36.14 -68.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.99 -88.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 0.1 OUTLIER -93.01 -50.59 5.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.842 0.354 . . . . 0.0 110.937 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.454 ' OG ' HD12 ' A' 1414 ' ' LEU . 1.4 p -37.55 -28.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.599 ' HA ' HD21 ' A' 1414 ' ' LEU . 6.1 p-90 -38.36 -49.45 1.43 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.573 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -50.73 -60.14 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' 1474 ' ' ILE . 25.8 mm-40 -55.15 -49.1 72.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.472 ' HG ' HD23 ' A' 1471 ' ' LEU . 1.9 tm? -54.28 -45.74 72.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . 0.526 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -56.68 -58.56 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.116 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -51.67 -34.05 36.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -62.21 -33.27 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.33 17.66 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.71 34.18 5.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -87.96 112.47 22.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.0 m -66.32 156.92 33.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 57.1 t -46.47 -44.15 6.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.186 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 5.8 mt-10 -41.08 -59.7 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -61.64 -48.63 79.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.419 HG23 ' CH2' ' A' 1418 ' ' TRP . 70.9 mt -57.05 -72.41 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.9 OUTLIER -38.48 -46.96 1.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.499 ' N ' ' OD1' ' A' 1433 ' ' ASN . 41.3 ttt85 -52.56 -55.08 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.0 mt -51.95 -41.18 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -60.73 -40.49 92.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.427 ' C ' ' HD3' ' A' 1440 ' ' PRO . 57.6 t -79.41 -20.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.96 -20.18 22.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 16.9 m-80 -130.89 46.51 2.29 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.64 0.733 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.76 -24.01 30.17 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.727 2.285 . . . . 0.0 112.334 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.1 m120 -47.13 -60.34 2.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -148.4 173.64 12.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 55.4 mt -75.47 -46.54 31.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.427 ' O ' HG23 ' A' 1448 ' ' VAL . 35.4 tp -43.73 -42.12 5.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -63.11 -38.54 91.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -61.58 -42.69 99.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' 1414 ' ' LEU . 7.6 m -64.15 -46.36 84.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' 1444 ' ' LEU . 94.9 t -58.66 -55.5 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.96 -48.24 67.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.526 HD13 ' HB2' ' A' 1422 ' ' ALA . 8.9 tp -51.27 -62.58 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 35.0 mt -44.78 -48.35 10.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -53.6 -42.12 67.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.95 -54.95 30.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.556 ' CZ3' HD12 ' A' 1467 ' ' LEU . 72.7 t90 -49.44 -44.65 45.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 78.4 t -60.78 -47.64 92.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.1 mt -62.19 -57.49 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -48.28 -53.74 16.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.597 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 1.9 mm-40 -61.26 -48.02 83.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.16 -90.87 1.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.451 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -108.74 -41.31 4.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.27 -20.04 6.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.597 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -52.04 149.15 5.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.094 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -157.74 137.84 12.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -52.8 -42.89 65.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -53.58 -63.86 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -43.22 -45.75 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.556 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -55.87 -50.67 69.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.718 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.7 m-85 -57.42 -43.63 83.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.4 m -57.07 -43.26 81.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.101 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.74 -38.67 91.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.718 HD12 ' HA ' ' A' 1468 ' ' TYR . 24.2 mt -60.93 -54.5 44.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -55.32 -42.47 73.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.4 m -44.49 -48.17 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.408 HG21 ' HB3' ' A' 1420 ' ' GLU . 8.6 pt -85.13 29.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 12.8 t70 57.43 41.94 25.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -127.29 54.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -90.94 -14.21 58.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.456 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -55.14 -32.08 61.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.76 -49.17 72.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 10.6 t -61.91 -29.94 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -73.44 -47.85 38.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.577 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.9 ptm -72.35 -23.39 61.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.841 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -85.22 -50.42 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -112.53 105.89 14.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.08 84.05 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 67.1 p -50.05 -37.67 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.95 0.405 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 57.19 93.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 18.8 ptt-85 -128.25 162.43 27.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -149.83 122.91 8.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.2 m -105.18 81.94 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -45.38 157.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -134.63 115.03 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 14.2 mt -67.51 -52.44 39.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.959 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -171.91 151.76 2.82 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.565 0.698 . . . . 0.0 110.855 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 133.61 26.03 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -113.29 149.32 34.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 8.3 t -134.54 101.22 4.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.842 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.1 t -64.98 98.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -171.68 101.66 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.433 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 23.5 t -62.84 106.99 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 17.0 m -65.14 -58.06 6.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.3 146.12 19.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -171.95 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.324 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 125.34 134.38 4.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.45 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 7.4 m -122.76 117.7 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.914 0.388 . . . . 0.0 110.821 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 10.3 tt -45.07 116.57 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 30.4 m -111.04 -61.22 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 172.53 116.16 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 5.6 t -132.86 165.48 24.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.751 0.31 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -47.27 -49.43 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -59.08 -57.88 11.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.857 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -46.56 -44.45 18.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -60.51 -51.8 67.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.412 ' O ' HG23 ' A' 1409 ' ' VAL . 25.3 ttp -56.23 -50.06 72.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' 1407 ' ' MET . 2.9 mptt -53.39 -70.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.505 ' HA ' HD12 ' A' 1410 ' ' ILE . 96.5 mmm -36.39 -60.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.75 -46.02 40.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.073 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.644 HG11 HD21 ' A' 1483 ' ' LEU . 42.7 t -64.41 -58.54 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' 1407 ' ' MET . 38.1 mt -38.66 -42.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 31.2 t -71.34 -50.23 34.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -41.33 -48.16 3.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.572 ' CE1' ' SD ' ' A' 1482 ' ' MET . 3.8 m170 -77.75 -39.84 42.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' 1447 ' ' SER . 9.0 tp -36.98 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.18 -85.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.515 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' 1414 ' ' LEU . 4.7 tp -100.66 -43.3 6.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.442 ' HB2' HD12 ' A' 1414 ' ' LEU . 75.4 m -44.47 -22.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.6 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.5 p-90 -45.19 -51.4 10.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.6 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.67 -54.47 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 24.6 mm-40 -55.71 -47.47 76.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.8 tp -56.02 -48.18 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.18 -56.66 13.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -55.75 -34.23 65.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -62.37 -38.86 91.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.893 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.46 9.79 4.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 67.34 44.17 1.86 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -89.59 114.83 26.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 17.4 m -62.48 152.13 35.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.855 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.513 HG12 HD22 ' A' 1433 ' ' ASN . 42.8 t -44.94 -46.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 7.2 mm-40 -40.27 -56.33 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -64.02 -47.33 80.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.459 ' HA ' HD12 ' A' 1435 ' ' ILE . 88.1 mt -59.43 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.513 HD22 HG12 ' A' 1429 ' ' VAL . 0.8 OUTLIER -40.67 -46.33 2.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.492 ' N ' ' OD1' ' A' 1433 ' ' ASN . 33.5 ttt180 -54.67 -50.11 68.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.459 HD12 ' HA ' ' A' 1432 ' ' ILE . 23.7 mt -54.34 -42.04 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 14.7 mtp180 -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.428 ' C ' ' HD3' ' A' 1440 ' ' PRO . 56.2 t -76.42 -24.34 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -89.38 -20.87 23.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.552 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.1 m-80 -132.12 47.83 3.11 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.619 0.723 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -25.16 28.74 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.715 2.277 . . . . 0.0 112.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 30.8 m-20 -42.93 -58.35 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -153.62 174.17 14.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.528 HD23 ' OE1' ' A' 1446 ' ' GLN . 31.2 mt -72.07 -54.76 8.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' 1448 ' ' VAL . 54.2 tp -37.45 -43.7 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -63.47 -40.88 98.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.528 ' OE1' HD23 ' A' 1443 ' ' LEU . 25.2 mt-30 -59.22 -44.87 92.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.6 p -61.76 -50.35 72.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' 1444 ' ' LEU . 93.7 t -49.78 -58.31 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.97 -51.32 53.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.566 HD22 ' HE3' ' A' 1418 ' ' TRP . 26.9 tp -45.28 -61.62 1.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 42.0 mt -47.41 -53.6 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.4 m-20 -49.01 -42.77 39.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 64.0 tp -66.47 -52.53 45.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.693 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -50.56 -42.69 55.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 97.6 t -62.87 -51.43 72.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.8 mt -59.54 -51.69 69.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -53.63 -49.05 68.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.571 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.8 mm-40 -63.4 -49.93 71.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 87.28 -103.81 2.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -104.47 -0.15 28.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.47 -22.26 19.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -54.71 95.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.07 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' 1464 ' ' MET . 37.5 t-20 -108.26 126.92 53.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.871 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.511 ' HE3' HD13 ' A' 1467 ' ' LEU . 4.8 tpt -37.32 -42.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -51.9 -63.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -44.17 -43.98 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.693 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -55.6 -49.67 72.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.652 ' CD1' HG22 ' A' 1480 ' ' VAL . 22.6 m-85 -59.12 -37.61 77.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 90.4 m -61.14 -43.39 98.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.114 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.69 -39.14 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' 1468 ' ' TYR . 38.1 mt -62.24 -55.91 23.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -53.28 -33.23 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.2 m -61.36 -39.37 90.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.514 HD11 ' HG3' ' A' 1476 ' ' ARG . 7.8 pt -94.65 25.71 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.19 40.29 21.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.514 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.0 OUTLIER -115.97 26.77 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.85 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -64.87 -32.47 84.33 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -42.51 -36.31 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.422 HG21 ' HA ' ' A' 1410 ' ' ILE . 79.5 mt -66.93 -45.94 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.652 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.8 t -66.87 -24.79 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -79.1 -43.2 24.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.572 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 7.0 ptm -77.11 -20.2 55.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.871 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.644 HD21 HG11 ' A' 1409 ' ' VAL . 11.4 mt -88.31 -54.19 4.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . 0.438 ' OE2' ' CE2' ' A' 1468 ' ' TYR . 25.8 mt-10 -84.0 167.77 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -160.68 175.0 37.42 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 25.1 m -125.11 100.85 6.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.807 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 108.42 -154.6 16.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 33.4 tpt85 -60.22 90.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 110.9 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -46.04 130.47 9.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 85.3 p -117.67 123.22 45.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -119.85 -51.45 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.8 p30 -55.62 114.08 1.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.503 ' C ' HD23 ' A' 1493 ' ' LEU . 4.3 tt -166.45 142.63 4.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.4 mttp -145.28 146.69 31.22 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 118.66 5.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -45.01 128.67 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 91.0 p -73.43 162.9 28.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 110.846 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 33.7 p -158.83 143.32 15.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 72.72 -167.49 53.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.8 m 54.43 44.87 28.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 20.0 m -106.13 124.64 49.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 134.2 147.83 5.69 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 114.91 3.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -149.23 -170.87 17.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.519 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 4.7 t -89.47 143.36 26.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.879 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.418 ' C ' HD23 ' A' 1397 ' ' LEU . 10.6 tt -66.06 117.73 8.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 2.2 t -85.24 87.77 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -141.46 -97.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.1 p -116.4 -175.03 2.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.746 0.308 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -78.77 -62.51 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.411 ' HB3' ' CE ' ' A' 1406 ' ' LYS . 14.2 mt-30 -55.45 -20.23 11.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.36 -62.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -38.38 -53.85 1.49 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 40.9 ttp -61.45 -46.33 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.411 ' CE ' ' HB3' ' A' 1402 ' ' GLN . 0.8 OUTLIER -54.84 -51.98 64.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' 1410 ' ' ILE . 81.4 mmm -53.75 -63.37 1.17 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.0 -42.58 18.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.878 HG11 HD21 ' A' 1483 ' ' LEU . 27.9 t -63.8 -53.02 49.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.456 HD12 ' HA ' ' A' 1407 ' ' MET . 36.7 mt -44.97 -47.49 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 -39.82 71.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.9 -57.05 7.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.653 ' CE1' HG13 ' A' 1409 ' ' VAL . 3.4 m170 -72.23 -36.6 69.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.685 HD23 ' CB ' ' A' 1447 ' ' SER . 12.5 tp -34.28 -69.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . 0.525 ' O ' HD22 ' A' 1443 ' ' LEU . . . 60.68 -83.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.518 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1416 ' ' LEU . 1.5 tm? -102.29 -47.98 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.828 0.346 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.42 ' OG ' HD12 ' A' 1414 ' ' LEU . 2.6 p -37.94 -27.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.533 ' HA ' HD21 ' A' 1414 ' ' LEU . 7.1 p-90 -39.85 -45.83 1.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.38 -49.95 74.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.467 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 1.9 mp0 -61.5 -51.61 67.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.749 ' O ' HD23 ' A' 1421 ' ' LEU . 3.7 tt -53.74 -35.48 61.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.93 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.56 -54.18 36.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -50.66 -42.5 56.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.22 -37.73 62.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.77 14.24 2.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 62.47 36.78 13.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -79.81 112.64 17.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 49.7 m -61.5 155.51 21.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.454 HG12 HD22 ' A' 1433 ' ' ASN . 31.3 t -50.92 -35.94 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.464 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 2.9 mp0 -51.31 -52.35 46.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -65.55 -45.44 83.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 69.8 mt -61.61 -71.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.8 OUTLIER -42.29 -45.44 4.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.497 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.1 ttp180 -52.54 -56.06 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.54 -41.08 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -59.12 -40.65 86.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 59.0 t -79.85 -18.07 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -91.85 -24.46 19.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.548 ' N ' ' CD ' ' A' 1440 ' ' PRO . 4.2 m-80 -133.14 48.05 3.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.657 0.741 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.3 Cg_endo -69.79 -18.05 37.08 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.681 2.254 . . . . 0.0 112.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -48.79 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 69.7 m -145.7 173.54 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.525 HD22 ' O ' ' A' 1415 ' ' GLY . 17.3 mt -72.51 -48.74 38.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.508 ' O ' HG23 ' A' 1448 ' ' VAL . 54.6 tp -44.75 -41.93 7.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.49 -39.73 92.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.32 -48.95 78.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.685 ' CB ' HD23 ' A' 1414 ' ' LEU . 26.2 p -56.64 -46.4 81.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' 1444 ' ' LEU . 85.5 t -54.1 -58.64 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.23 -41.06 49.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 46.0 tp -56.23 -60.32 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' 1455 ' ' VAL . 42.6 mt -46.85 -47.14 21.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -60.16 -48.91 79.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.6 tp -59.39 -54.65 44.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.512 ' CZ3' HD12 ' A' 1467 ' ' LEU . 48.4 t90 -46.94 -47.45 21.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1451 ' ' LEU . 96.8 t -61.33 -42.76 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 58.6 mt -64.85 -56.82 13.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -52.82 -53.84 42.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -62.35 -41.29 98.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.42 -100.84 1.1 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.45 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -90.98 -55.44 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' 1462 ' ' ALA . 16.3 m-80 -39.07 -36.54 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -36.43 126.33 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.085 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -144.52 139.64 28.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.6 tpt -46.93 -51.96 15.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -45.45 -64.37 0.74 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 37.9 m-20 -39.2 -51.21 1.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.512 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -53.92 -51.39 63.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.61 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.5 m-85 -57.66 -40.33 79.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 87.7 m -55.15 -50.78 68.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -41.94 92.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.3 mt -57.08 -52.52 64.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -60.97 -32.3 71.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 24.3 m -66.17 -36.24 82.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.467 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 12.8 pt -90.65 19.71 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.03 47.9 5.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.1 mmp_? -130.73 25.23 5.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.34 -29.44 71.47 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -44.85 -37.36 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.5 -45.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 21.3 t -64.55 -23.68 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -78.47 -43.56 26.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.591 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.3 ptm -73.99 -25.48 59.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.878 HD21 HG11 ' A' 1409 ' ' VAL . 9.8 mt -84.13 -43.54 14.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -100.03 39.63 1.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -76.23 -61.27 2.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.509 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 57.4 p -132.09 156.35 46.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 173.73 -138.41 4.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -45.2 109.03 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -153.23 140.36 19.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.95 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 18.3 t -105.55 128.08 53.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' 1492 ' ' ASN . 79.8 mtt180 -80.99 45.05 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' 1491 ' ' ARG . 5.4 p-10 35.16 49.59 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -52.0 164.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -169.9 144.07 2.22 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.574 0.702 . . . . 0.0 110.888 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 98.61 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.351 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 168.66 5.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.825 -179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 28.0 m -57.88 156.36 9.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 36.6 t -170.16 125.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' 1392 ' ' SER . . . 111.94 -120.55 5.4 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.532 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' 1390 ' ' GLY . 6.7 t 37.48 30.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' 1390 ' ' GLY . 3.6 m -55.46 -51.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -106.1 167.3 14.3 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -48.92 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.687 2.258 . . . . 0.0 112.359 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -136.92 139.34 10.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 65.9 p -100.64 32.35 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.692 HD23 ' H ' ' A' 1464 ' ' MET . 0.9 OUTLIER -121.35 89.79 3.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 14.8 m -108.31 134.68 50.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -52.23 99.83 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.568 HG23 ' H ' ' A' 1403 ' ' ALA . 9.3 t -121.1 161.75 21.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 0.0 111.132 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -42.6 -64.74 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' 1403 ' ' ALA . 8.9 mt-30 -48.74 -63.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.568 ' H ' HG23 ' A' 1400 ' ' THR . . . -33.89 -55.89 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -45.96 -56.48 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 52.4 ttp -62.29 -41.19 98.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -53.39 -58.84 5.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 97.7 mmm -53.64 -57.35 11.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.85 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.686 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 56.2 t -49.31 -49.97 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 32.1 mt -47.75 -44.61 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 43.6 t -71.29 -40.73 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' HD11 ' A' 1444 ' ' LEU . 22.6 mt-10 -48.27 -54.74 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.686 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -73.4 -37.53 65.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' 1447 ' ' SER . 11.4 tp -37.32 -68.45 0.15 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -84.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.431 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' 1414 ' ' LEU . 5.9 tp -98.43 -50.26 4.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.3 p -37.67 -29.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.572 ' CG ' ' N ' ' A' 1419 ' ' ALA . 6.9 p-90 -35.38 -49.48 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.572 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -51.25 -62.33 1.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 10.4 mm-40 -48.33 -50.17 31.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.525 HD22 HD21 ' A' 1471 ' ' LEU . 26.1 tp -53.35 -48.55 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.33 -48.75 68.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 23.8 tpt85 -57.08 -41.22 78.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.832 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.85 -29.87 60.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.448 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.5 mm? -85.81 10.09 14.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 67.36 30.66 6.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -78.16 114.9 17.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 46.7 m -65.34 158.15 27.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 52.6 t -49.5 -39.72 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 11.5 mm-40 -45.49 -57.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.57 -47.82 82.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 75.4 mt -58.32 -72.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.108 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -39.95 -44.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.843 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.445 ' N ' ' OD1' ' A' 1433 ' ' ASN . 50.5 ttt180 -55.07 -51.56 65.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 67.2 mt -54.74 -41.68 57.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -60.88 -37.64 82.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 87.0 t -80.41 -22.64 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -91.97 -17.11 25.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -134.88 46.12 1.72 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.76 -25.67 28.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.635 2.224 . . . . 0.0 112.368 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -42.61 -58.16 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.7 m -151.66 178.08 9.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.445 HD23 ' OE1' ' A' 1446 ' ' GLN . 12.9 mt -77.47 -51.65 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' 1412 ' ' GLU . 19.2 tp -41.22 -44.35 2.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -59.95 -44.54 94.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.445 ' OE1' HD23 ' A' 1443 ' ' LEU . 28.9 mt-30 -56.95 -51.44 69.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.7 ' CB ' HD23 ' A' 1414 ' ' LEU . 0.9 OUTLIER -53.54 -50.32 65.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 75.7 t -53.81 -57.1 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -49.39 -52.44 28.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.053 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.51 HD22 ' HE3' ' A' 1418 ' ' TRP . 29.6 tp -46.81 -63.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.923 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' 1455 ' ' VAL . 66.5 mt -44.44 -53.08 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -48.95 -49.83 38.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 42.0 tp -58.71 -55.2 38.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.605 ' CZ3' HD12 ' A' 1467 ' ' LEU . 57.3 t90 -48.56 -42.97 35.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' 1451 ' ' LEU . 97.2 t -61.53 -43.07 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 85.3 mt -65.23 -56.03 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -48.9 -58.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 23.2 mm-40 -60.22 -47.83 84.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 78.61 -89.77 1.14 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -99.72 -55.95 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 0.0 110.933 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 67.4 m-80 -37.77 -40.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -35.13 115.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' 1465 ' ' GLU . 40.7 t-20 -131.75 123.72 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.692 ' H ' HD23 ' A' 1397 ' ' LEU . 4.4 tpt -34.62 -34.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' 1463 ' ' ASN . 14.2 mt-10 -59.39 -60.32 4.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -45.61 -48.33 14.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.605 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.7 tt -54.37 -51.49 64.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.528 ' CZ ' ' HG3' ' A' 1464 ' ' MET . 22.2 m-85 -54.32 -47.31 72.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 24.7 m -50.62 -57.09 9.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -52.34 -40.85 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.551 HD11 ' CD2' ' A' 1467 ' ' LEU . 66.5 mt -62.81 -51.89 65.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.26 -31.72 71.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.4 m -67.14 -27.82 67.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.464 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 18.7 pt -95.61 24.11 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 62.24 38.16 13.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 -131.5 48.2 2.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.73 -33.12 28.28 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -39.51 -55.22 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 83.2 mt -44.69 -56.07 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 16.1 t -57.5 -25.85 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -70.76 -40.59 72.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 6.4 ptp -78.86 -24.89 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.488 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -84.0 -37.99 21.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -100.04 119.27 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -156.67 -102.61 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 22.8 t -54.21 139.18 36.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.905 0.383 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -136.77 113.33 1.03 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -50.28 107.06 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.808 0.337 . . . . 0.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 45.4 mm-40 -65.39 118.71 9.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 80.6 p -75.07 171.77 13.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 12.3 tpt85 -173.55 147.1 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -159.33 164.79 34.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.1 mp -98.33 133.73 42.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 19.2 mttp -135.92 143.99 46.61 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.539 0.685 . . . . 0.0 110.909 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -39.7 6.27 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.387 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 145.56 28.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.8 t 61.25 41.83 12.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 0.0 110.816 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 84.7 p -54.92 102.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 103.27 159.69 25.18 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 35.2 t -136.2 145.69 45.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.9 p -52.07 112.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.815 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 111.61 -158.17 14.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.497 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.25 37.23 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.636 2.224 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 123.22 -83.88 0.36 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 33.2 p -41.24 135.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.936 0.398 . . . . 0.0 110.815 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -53.72 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 3.7 t -126.21 83.68 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 46.88 58.44 6.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.5 p -60.41 177.52 0.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.761 0.315 . . . . 0.0 111.108 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' 1402 ' ' GLN . 16.9 pt-20 -61.26 -51.71 67.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' 1401 ' ' GLU . 23.2 pt20 -80.84 -29.69 35.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' 1404 ' ' GLU . . . -47.1 -60.15 2.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' 1403 ' ' ALA . 7.9 tm-20 -37.48 -54.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.47 ' O ' HG23 ' A' 1409 ' ' VAL . 3.1 tmm? -56.87 -65.31 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 7.8 mptt -51.14 -68.62 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.442 ' HA ' HD12 ' A' 1410 ' ' ILE . 44.6 mtp -39.96 -61.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.44 -54.75 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.778 HG11 HD21 ' A' 1483 ' ' LEU . 56.1 t -53.63 -58.57 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' 1407 ' ' MET . 21.2 mt -42.84 -41.65 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.95 -34.81 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.445 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 66.4 mt-10 -59.57 -46.96 87.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.584 ' CE1' ' SD ' ' A' 1482 ' ' MET . 2.8 m170 -79.78 -28.58 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.84 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.805 HD23 ' CB ' ' A' 1447 ' ' SER . 9.9 tp -45.2 -69.86 0.12 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . 0.629 ' O ' HD22 ' A' 1443 ' ' LEU . . . 58.02 -84.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.537 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -98.29 -50.98 4.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.34 . . . . 0.0 110.943 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 1.1 p -39.02 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.496 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.5 p-90 -40.41 -44.7 2.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.68 -59.65 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.096 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.483 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 5.2 mm-40 -52.48 -45.14 66.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 10.5 tp -54.06 -42.83 69.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.75 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.082 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 18.9 mmm-85 -57.49 -35.99 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . 0.471 ' OE2' ' CG2' ' A' 1474 ' ' ILE . 0.2 OUTLIER -65.5 -35.44 80.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.437 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.0 mm? -80.19 11.54 3.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 62.6 43.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . 0.555 ' CE1' HD21 ' A' 1453 ' ' LEU . 10.2 m-85 -90.46 117.45 29.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 52.5 m -64.56 159.51 21.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 32.3 t -53.3 -36.94 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 4.2 mp0 -48.46 -56.57 7.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -63.66 -47.92 79.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.05 -71.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 1.1 p30 -42.0 -43.73 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 9.1 ttm105 -55.0 -50.49 68.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 95.5 mt -56.82 -39.74 66.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 29.2 mtp180 -65.61 -37.42 86.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' 1437 ' ' VAL . 78.3 t -81.0 -14.22 12.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.154 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -98.8 -23.26 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.587 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.3 m-80 -129.51 45.86 1.95 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.633 0.73 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.2 Cg_endo -69.7 -14.97 37.06 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.725 2.283 . . . . 0.0 112.337 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -54.84 -55.95 24.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 27.9 m -150.56 177.52 9.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' 1415 ' ' GLY . 17.4 mt -78.33 -49.25 13.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1448 ' ' VAL . 14.6 tp -42.59 -42.44 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.29 -39.2 93.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -62.01 -45.34 94.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.805 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.7 p -61.51 -48.33 81.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1444 ' ' LEU . 89.0 t -52.65 -63.53 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -45.83 -48.47 15.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 28.7 tp -48.31 -66.15 0.45 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1455 ' ' VAL . 33.4 mt -42.7 -52.22 5.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -49.5 -46.89 48.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.555 HD21 ' CE1' ' A' 1427 ' ' PHE . 26.0 tp -59.34 -56.28 24.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.547 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.1 t90 -45.81 -42.32 12.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1451 ' ' LEU . 58.8 t -62.76 -51.48 71.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 86.0 mt -57.78 -50.2 78.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 46.9 ttt180 -60.84 -51.79 67.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.572 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.8 mm-40 -56.15 -49.85 72.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.69 -94.55 0.51 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.53 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -91.48 -44.55 9.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -54.77 -33.98 62.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.572 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.87 127.48 1.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -155.24 138.08 15.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.578 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 5.3 tpt -52.32 -44.04 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -51.79 -58.77 5.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -49.46 -46.14 47.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.547 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -54.42 -52.34 62.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.81 -45.81 70.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.4 m -54.92 -45.62 74.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.167 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.99 98.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 27.7 mt -57.11 -50.84 71.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -60.91 -33.94 73.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 8.3 t -57.73 -38.18 74.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.483 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 32.9 pt -89.17 11.66 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.137 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.3 m-20 69.98 33.76 2.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -120.2 33.37 5.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -64.9 -30.82 79.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' 1477 ' ' GLY . 12.1 pt-20 -36.65 -36.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.914 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' 1410 ' ' ILE . 31.9 mt -64.98 -48.13 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.544 HG22 ' HD1' ' A' 1468 ' ' TYR . 21.4 t -66.56 -25.38 34.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -77.22 -43.55 33.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.4 ptm -76.27 -23.23 54.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.778 HD21 HG11 ' A' 1409 ' ' VAL . 12.2 mt -84.8 -54.83 4.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -98.91 81.02 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -121.28 -77.16 0.45 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 2.4 m -125.09 171.82 9.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 125.09 104.64 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -61.11 138.87 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.79 0.329 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -120.48 97.83 5.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 3.3 m -126.74 42.43 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -106.16 89.77 3.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 4.6 m120 -99.87 121.48 41.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 34.2 tp -94.37 132.76 38.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.466 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 75.9 tttt -58.46 139.36 85.12 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.571 0.701 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 54.0 Cg_endo -69.69 168.54 21.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -173.89 163.34 4.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 29.1 tpt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.878 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 87.6 p -90.46 43.12 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 0.0 110.858 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 48.5 m -115.02 164.25 14.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.798 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -151.81 -59.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.4 t -59.86 -53.02 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 92.1 p -42.68 145.25 0.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -174.47 -87.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.93 37.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -166.06 137.14 4.5 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 1.1 t -81.47 -54.1 5.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' 1464 ' ' MET . 8.0 tp -87.54 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.0 t -108.8 96.69 6.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -160.79 -33.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.492 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.468 ' OG1' ' HB2' ' A' 1403 ' ' ALA . 21.9 p -68.9 177.37 2.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -77.54 -31.89 53.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.42 ' CD ' ' HE2' ' A' 1406 ' ' LYS . 2.4 tt0 -90.4 -29.24 18.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.468 ' HB2' ' OG1' ' A' 1400 ' ' THR . . . -41.43 -63.39 0.71 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -39.18 -48.34 1.73 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.656 ' O ' HG23 ' A' 1409 ' ' VAL . 5.1 ttp -61.12 -37.88 84.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' 1403 ' ' ALA . 30.1 mmtt -59.28 -62.47 1.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 92.1 mmm -50.85 -55.11 18.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.73 -50.79 54.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.061 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.672 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 57.3 t -59.52 -54.53 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 19.8 mt -43.75 -40.19 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.4 p -74.95 -33.8 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.34 -46.81 88.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.672 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.9 m170 -75.95 -43.55 44.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.736 HD23 ' HB2' ' A' 1447 ' ' SER . 14.1 tp -36.29 -67.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.45 -87.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -91.95 -51.26 5.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.36 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.8 m -38.55 -28.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.652 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.7 p-90 -36.2 -38.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.406 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -63.38 -59.03 5.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.471 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 22.1 mm-40 -52.19 -44.5 64.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.921 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1425 ' ' LEU . 2.9 tt -57.7 -48.86 78.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -55.67 -50.78 69.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -55.03 -37.21 66.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.3 -36.03 80.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.434 HD23 HD23 ' A' 1421 ' ' LEU . 4.5 mm? -78.21 9.76 3.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 68.37 35.92 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . 0.423 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 10.1 m-85 -83.13 112.67 20.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 22.7 m -63.44 155.18 29.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.7 t -48.27 -39.17 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.478 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.4 mt-10 -45.86 -54.86 7.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.08 -50.17 65.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.6 mt -56.11 -69.15 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.478 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.8 OUTLIER -43.81 -46.63 7.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.431 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.7 ttt180 -54.46 -49.1 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 75.7 mt -54.92 -42.01 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -37.67 88.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.42 ' C ' ' HD3' ' A' 1440 ' ' PRO . 60.4 t -79.53 -22.14 12.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -91.31 -26.43 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.565 ' N ' ' CD ' ' A' 1440 ' ' PRO . 7.4 m-80 -129.87 47.07 2.56 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.636 0.731 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.2 Cg_endo -69.79 -9.18 25.48 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.701 2.268 . . . . 0.0 112.314 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -53.47 -60.44 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 58.6 m -151.3 179.34 8.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' 1443 ' ' LEU . 13.5 mt -73.91 -53.05 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' 1448 ' ' VAL . 69.3 tp -43.51 -40.29 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -64.87 -35.08 79.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1443 ' ' LEU . 36.1 mt-30 -67.53 -43.94 79.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.736 ' HB2' HD23 ' A' 1414 ' ' LEU . 26.8 p -63.58 -47.41 81.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' 1444 ' ' LEU . 91.3 t -54.82 -54.46 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.53 -39.05 70.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 19.8 tp -57.75 -55.42 35.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.609 ' O ' HG23 ' A' 1455 ' ' VAL . 32.0 mt -52.15 -48.49 64.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -54.14 -44.86 71.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.423 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 41.1 tp -66.06 -49.2 68.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.552 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.2 t90 -53.87 -46.02 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' 1451 ' ' LEU . 81.7 t -59.86 -48.88 86.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.79 -58.01 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -46.88 -55.94 7.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -62.45 -48.05 81.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 80.64 -109.77 3.01 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.511 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -83.95 -44.45 14.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.67 -39.14 10.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . . . . . . . . . . . -40.67 137.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.086 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.615 HD22 ' N ' ' A' 1464 ' ' MET . 0.1 OUTLIER -153.86 132.62 12.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.615 ' N ' HD22 ' A' 1463 ' ' ASN . 3.6 tpt -39.13 -37.04 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -59.75 -61.78 2.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -42.96 -44.67 4.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.78 -50.74 72.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.595 ' HA ' HD12 ' A' 1471 ' ' LEU . 25.1 m-85 -58.16 -43.25 87.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 41.5 m -54.32 -48.04 71.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.161 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.74 -39.56 91.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' 1468 ' ' TYR . 17.3 mt -59.55 -48.45 81.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -63.92 -34.56 78.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.4 t -55.81 -40.64 73.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 14.7 pt -84.01 22.23 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 58.67 39.64 24.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 14.0 tpp85 -134.26 50.77 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -83.4 -12.81 77.78 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.467 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -50.21 -44.06 52.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.529 HD13 ' HB2' ' A' 1413 ' ' HIS . 98.1 mt -57.42 -46.44 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.425 HG13 ' CD1' ' A' 1468 ' ' TYR . 19.7 t -64.45 -23.1 32.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -78.12 -38.65 43.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.6 ptp -79.09 -22.91 44.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 9.2 mt -86.81 -49.21 7.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -87.74 120.35 28.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 175.28 107.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.5 p -112.26 92.57 4.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -103.82 39.93 2.63 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -111.21 -42.26 3.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -73.03 112.26 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 4.9 t -169.72 144.43 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -71.62 67.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1493 ' ' LEU . 7.9 t30 -91.09 77.82 5.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.632 ' H ' HD23 ' A' 1493 ' ' LEU . 0.4 OUTLIER -35.35 144.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 23.4 tttt -132.59 82.32 57.02 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.883 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 156.06 64.14 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.256 . . . . 0.0 112.283 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -154.06 147.01 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 26.4 ttp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1389 ' ' SER . 50.7 m -51.78 152.24 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.947 0.403 . . . . 0.0 110.814 -179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' 1388 ' ' SER . 96.1 p -37.58 134.2 0.7 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.857 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -86.82 -93.78 0.9 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 34.3 t -97.77 -50.03 4.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.914 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.3 m 53.56 45.5 28.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -144.69 -158.1 7.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 178.02 5.06 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.644 2.229 . . . . 0.0 112.343 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -69.21 -35.06 76.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 5.0 m 44.24 52.26 7.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.923 0.392 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' 1397 ' ' LEU . 3.8 pp -76.93 -31.77 56.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.944 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 89.0 p -62.35 101.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -173.89 40.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.744 HG22 ' H ' ' A' 1402 ' ' GLN . 52.0 m -114.77 136.86 52.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 111.122 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' 1400 ' ' THR . 2.8 pm0 -37.46 -34.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.744 ' H ' HG22 ' A' 1400 ' ' THR . 1.2 mp0 -92.6 -58.27 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -34.06 -43.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.11 -49.72 75.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.541 ' O ' HG23 ' A' 1409 ' ' VAL . 38.1 ttp -62.67 -39.51 94.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -57.1 -59.0 5.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.646 ' HE1' HD22 ' A' 1451 ' ' LEU . 0.8 OUTLIER -52.25 -60.54 3.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -48.97 -54.49 15.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.873 HG11 HD21 ' A' 1483 ' ' LEU . 46.5 t -53.97 -57.94 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.127 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.4 mt -41.01 -45.86 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -67.89 -47.76 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -45.1 -54.54 6.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.575 ' CE1' ' CE ' ' A' 1482 ' ' MET . 4.8 m170 -71.11 -36.4 72.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.602 HD23 ' HB2' ' A' 1447 ' ' SER . 9.3 tp -41.76 -69.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.25 -80.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -101.11 -52.14 3.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.912 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.42 ' HB3' ' NE ' ' A' 1476 ' ' ARG . 1.8 p -37.62 -27.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' 1416 ' ' LEU . 6.5 p-90 -37.21 -41.56 0.4 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.451 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.01 -65.0 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.454 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.9 mm-40 -45.49 -52.04 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.565 HD12 HD23 ' A' 1471 ' ' LEU . 3.4 tt -54.73 -46.75 74.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -54.3 -46.32 72.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.6 tpt85 -60.88 -38.79 86.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -34.68 72.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' 1454 ' ' TRP . 32.4 mt -79.97 6.24 11.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.932 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 67.03 43.06 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -87.53 112.07 21.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -61.03 153.78 24.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 86.2 t -46.37 -41.12 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.173 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 8.1 mp0 -44.74 -56.4 4.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -64.2 -49.78 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 77.7 mt -57.18 -70.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -41.15 -45.62 2.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.484 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.6 ttt180 -55.14 -51.5 66.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 53.9 mt -53.33 -41.06 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -62.95 -41.29 99.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.419 ' C ' ' HD3' ' A' 1440 ' ' PRO . 59.2 t -78.52 -19.5 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -92.02 -23.71 19.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.572 ' N ' ' CD ' ' A' 1440 ' ' PRO . 6.0 m-80 -130.92 46.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.7 Cg_endo -69.71 -25.47 28.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.48 -58.37 3.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 71.0 m -147.58 172.6 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 23.9 mt -74.76 -49.61 20.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' 1448 ' ' VAL . 63.4 tp -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -63.79 -38.52 91.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 42.4 mt-30 -61.46 -49.95 74.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.602 ' HB2' HD23 ' A' 1414 ' ' LEU . 36.2 p -57.5 -50.21 73.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' 1444 ' ' LEU . 95.3 t -54.32 -59.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.83 65.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.26 -58.71 4.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.646 HD22 ' HE1' ' A' 1407 ' ' MET . 56.0 mt -50.56 -54.55 21.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -44.71 -42.12 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 66.5 tp -66.91 -41.72 86.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.55 ' CZ3' HD12 ' A' 1467 ' ' LEU . 52.5 t90 -61.71 -45.77 92.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 85.9 t -60.9 -48.17 90.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.08 -57.45 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.74 -63.74 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -53.45 -45.01 69.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.39 -95.09 0.95 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.496 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -90.06 -58.01 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -38.4 -35.59 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.407 ' O ' HD21 ' A' 1397 ' ' LEU . . . -40.15 111.83 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.117 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' 1465 ' ' GLU . 49.3 t-20 -130.2 150.28 51.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.54 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 3.8 tpt -64.09 -37.77 88.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' 1463 ' ' ASN . 2.9 pt-20 -62.83 -36.34 82.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 66.1 m-20 -67.65 -42.63 81.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.567 HD11 ' HE1' ' A' 1407 ' ' MET . 5.5 tt -59.25 -48.71 80.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG22 ' A' 1480 ' ' VAL . 26.5 m-85 -59.88 -47.35 86.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 96.5 m -51.9 -44.91 64.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.108 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -65.81 -36.66 84.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.083 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.565 HD23 HD12 ' A' 1421 ' ' LEU . 14.8 mt -61.81 -56.83 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -51.07 -36.57 40.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 46.8 m -56.93 -46.58 81.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 16.6 pt -84.01 17.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 66.78 39.26 3.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.828 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' 1474 ' ' ILE . 5.4 mmt180 -118.88 41.67 2.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.36 -29.48 58.18 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -44.19 -39.29 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.347 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 43.0 mt -63.57 -45.15 98.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.561 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.6 t -65.5 -25.15 36.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -77.94 -44.22 27.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.575 ' CE ' ' CE1' ' A' 1413 ' ' HIS . 6.7 ptm -76.43 -22.86 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.873 HD21 HG11 ' A' 1409 ' ' VAL . 8.7 mt -88.5 -54.18 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -96.8 91.08 5.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -55.0 102.12 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 73.0 p -143.44 118.95 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.915 0.388 . . . . 0.0 110.844 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.73 176.17 17.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.78 171.81 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.859 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -129.46 145.37 51.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 7.7 t -108.81 149.33 29.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -75.69 126.68 31.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -156.09 121.05 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 4.8 tp 43.25 43.32 3.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.16 145.64 9.52 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.564 0.697 . . . . 0.0 110.883 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 153.95 67.99 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.66 2.24 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' 1497 ' ' ARG . 5.7 p-10 -44.05 160.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' 1496 ' ' ASP . 8.7 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 41.3 m -76.76 89.17 3.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 64.3 m -75.24 105.09 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -112.51 176.43 17.75 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 14.7 m -114.31 88.17 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 3.1 m -125.45 157.06 37.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -121.19 145.56 17.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 0.49 5.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.7 2.266 . . . . 0.0 112.327 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -36.43 -91.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 2.8 t -107.43 114.03 27.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.84 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' 1463 ' ' ASN . 8.8 tp -107.76 145.98 32.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.98 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 47.5 t 45.46 51.43 9.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . -175.61 84.76 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.458 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.551 ' H ' ' HB3' ' A' 1403 ' ' ALA . 1.5 t -169.71 169.39 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.728 0.299 . . . . 0.0 111.113 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.439 ' CD ' ' HG3' ' A' 1402 ' ' GLN . 0.5 OUTLIER -40.82 -37.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' C ' ' A' 1403 ' ' ALA . 78.9 mt-30 -74.16 -57.02 4.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' 1400 ' ' THR . . . -33.05 -43.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.07 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -52.25 -51.62 57.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.657 ' O ' HG23 ' A' 1409 ' ' VAL . 4.7 ttp -73.52 -34.24 65.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -60.94 -61.44 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.481 ' HA ' HD12 ' A' 1410 ' ' ILE . 31.4 mtp -60.71 -54.93 39.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -49.9 -48.32 51.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1405 ' ' MET . 47.6 t -63.64 -53.36 45.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.105 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.534 HD11 ' HE2' ' A' 1464 ' ' MET . 25.5 mt -41.58 -43.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 12.9 t -71.6 -44.5 64.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -44.66 -56.1 4.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.597 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.9 m170 -70.71 -46.51 62.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.829 HD23 ' HB3' ' A' 1447 ' ' SER . 25.7 tp -35.65 -62.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.956 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.11 -93.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.7 tp -86.49 -50.62 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.533 ' HB2' HD12 ' A' 1414 ' ' LEU . 71.5 m -38.6 -27.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.9 p-90 -36.43 -48.13 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.35 -57.98 9.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -47.55 -49.24 26.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1421 ' ' LEU . 2.9 tt -57.29 -47.27 81.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.13 -55.76 13.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.047 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.8 -37.86 69.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.96 -33.8 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' 1454 ' ' TRP . 30.2 mt -82.42 10.96 6.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 66.82 40.83 3.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -91.6 114.63 27.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 51.1 m -64.89 158.59 24.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 26.9 t -49.49 -43.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.48 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 19.9 mp0 -41.47 -58.83 1.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -61.9 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 87.1 mt -56.16 -71.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.488 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -39.05 -46.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.488 ' N ' ' OD1' ' A' 1433 ' ' ASN . 29.9 ttp180 -53.63 -53.41 52.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 96.6 mt -53.01 -39.77 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -64.17 -44.71 91.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.6 t -73.7 -21.61 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -87.81 -30.4 20.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.5 m-80 -129.32 49.8 5.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.66 0.743 . . . . 0.0 110.887 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.73 -20.57 34.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 m120 -48.06 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.0 m -141.77 173.36 11.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.7 mt -73.11 -53.67 10.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.443 ' O ' HG23 ' A' 1448 ' ' VAL . 63.8 tp -38.91 -43.2 0.93 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -62.74 -44.43 96.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' 1443 ' ' LEU . 37.4 mt-30 -57.52 -46.74 83.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.829 ' HB3' HD23 ' A' 1414 ' ' LEU . 34.4 m -58.45 -50.47 73.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' 1444 ' ' LEU . 75.0 t -49.68 -57.32 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -51.22 -49.9 60.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 9.8 tp -48.3 -55.71 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.718 ' O ' HG23 ' A' 1455 ' ' VAL . 23.4 mt -50.91 -47.13 60.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -58.39 -40.63 82.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.433 HD12 ' NH1' ' A' 1457 ' ' ARG . 25.8 tp -65.41 -54.36 29.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.45 ' CD1' HD22 ' A' 1425 ' ' LEU . 56.6 t90 -51.15 -37.8 48.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.948 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' 1451 ' ' LEU . 66.5 t -66.78 -44.36 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 67.1 mt -62.67 -55.56 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' 1457 ' ' ARG . 1.0 OUTLIER -55.33 -55.19 34.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.57 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 59.3 mm-40 -58.59 -44.8 89.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 65.62 -93.5 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.453 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -93.52 -50.15 5.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.348 . . . . 0.0 110.929 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 10.4 m120 -44.88 -38.5 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.57 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -38.57 146.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.638 ' HA ' HD21 ' A' 1397 ' ' LEU . 40.6 t30 -165.86 125.04 1.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.901 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.545 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -34.46 -48.24 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -52.1 -61.65 2.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -41.41 -47.36 3.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.448 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -56.94 -50.78 71.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.586 ' HA ' HD12 ' A' 1471 ' ' LEU . 23.6 m-85 -58.91 -41.82 88.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 20.8 m -56.41 -43.05 78.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.124 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.79 -37.93 85.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1468 ' ' TYR . 11.5 mt -61.71 -54.06 47.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -52.3 -32.38 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.7 m -64.3 -31.02 72.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 36.3 pt -102.27 27.41 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 62.05 33.65 17.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' 1476 ' ' ARG . 0.8 OUTLIER -114.49 36.51 3.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 -179.843 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -80.27 -40.54 13.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -37.79 -44.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.552 HG23 ' ND1' ' A' 1413 ' ' HIS . 75.9 mt -60.82 -46.83 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.508 HG22 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.81 -24.18 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 45.9 m-20 -75.13 -47.65 27.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.8 ptp -70.16 -27.34 64.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1483 ' ' LEU . 8.3 mt -81.77 -39.35 24.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -114.47 91.89 3.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -74.58 -89.52 0.2 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 21.2 t -117.2 -59.08 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.368 . . . . 0.0 110.815 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 110.56 107.78 3.05 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -102.64 122.0 43.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.735 0.302 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 47.8 tp60 -137.88 154.8 49.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 29.9 m 53.76 35.93 22.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.8 103.65 12.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 60.1 t30 62.06 51.83 3.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tp -94.09 123.17 37.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.4 tttt -121.35 139.03 28.93 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.959 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.88 10.33 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.337 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -174.74 111.25 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 3.2 t -61.47 140.84 58.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 92.6 p -72.77 169.25 17.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 79.46 68.33 1.5 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 41.1 t -141.14 112.64 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 23.4 p -98.91 155.46 17.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -128.86 -157.92 9.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -13.1 34.23 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.684 2.256 . . . . 0.0 112.333 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.91 141.2 5.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.52 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 86.1 p -120.06 139.96 51.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' 1398 ' ' SER . 9.8 tp -44.83 -65.07 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' 1397 ' ' LEU . 27.0 p 35.52 44.92 0.21 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.37 92.87 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.453 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 77.3 m -104.08 132.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.73 0.3 . . . . 0.0 111.124 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.472 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 2.4 pt-20 -38.11 -47.62 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.486 ' H ' HG22 ' A' 1400 ' ' THR . 2.2 mp0 -74.74 -48.1 27.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.932 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.591 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -34.01 -55.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -42.73 -56.08 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.603 ' O ' HG23 ' A' 1409 ' ' VAL . 11.9 tmm? -60.49 -37.84 82.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -62.48 -65.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 44.2 mtp -44.91 -57.68 3.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.24 -53.49 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.616 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 64.7 t -57.41 -58.86 4.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 51.3 mt -39.19 -40.56 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -75.75 -42.11 51.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -48.15 -41.03 25.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.616 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.0 m170 -85.59 -44.63 12.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.851 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -35.77 -69.71 0.1 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.83 -90.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.487 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -91.53 -52.72 4.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.462 ' OG ' HD12 ' A' 1474 ' ' ILE . 1.0 OUTLIER -38.82 -26.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.627 ' CG ' ' N ' ' A' 1419 ' ' ALA . 10.8 p-90 -37.31 -53.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.627 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -45.54 -51.32 12.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.415 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 4.3 mm-40 -57.79 -45.81 85.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.639 ' HB2' HD13 ' A' 1474 ' ' ILE . 55.5 tp -58.58 -45.37 89.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . 0.488 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -55.5 -53.71 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.04 -41.13 67.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . 0.422 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.2 OUTLIER -54.14 -34.89 61.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.5 HD13 ' CD1' ' A' 1454 ' ' TRP . 35.9 mt -82.82 15.5 2.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 62.8 35.31 13.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -81.03 113.3 19.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 60.6 m -65.53 159.73 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.597 ' CG1' ' ND2' ' A' 1433 ' ' ASN . 9.0 t -44.92 -58.78 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.139 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' 1429 ' ' VAL . 16.6 mm-40 -33.93 -53.26 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -60.9 -56.16 24.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.734 ' HA ' HD12 ' A' 1435 ' ' ILE . 72.2 mt -61.27 -69.79 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.597 ' ND2' ' CG1' ' A' 1429 ' ' VAL . 19.1 m-20 -36.84 -51.38 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -55.34 -44.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.734 HD12 ' HA ' ' A' 1432 ' ' ILE . 22.4 mt -56.89 -41.19 75.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -65.27 -43.57 90.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' 1437 ' ' VAL . 45.3 t -73.13 -14.19 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1440 ' ' PRO . 31.5 mt-10 -101.17 -27.5 13.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.591 ' N ' ' CD ' ' A' 1440 ' ' PRO . 8.9 m-80 -124.17 45.33 1.21 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.77 -19.1 36.51 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.68 2.253 . . . . 0.0 112.328 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -44.2 -60.95 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 67.7 m -152.29 -178.71 6.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 23.5 mt -75.75 -45.77 34.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.37 -44.48 54.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -59.64 -38.91 82.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.87 -46.03 91.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.66 ' CB ' HD23 ' A' 1414 ' ' LEU . 71.5 m -60.14 -46.53 89.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.84 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 91.8 t -56.6 -57.69 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -50.29 -47.56 55.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.123 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.0 tp -50.17 -64.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.501 ' O ' HG23 ' A' 1455 ' ' VAL . 30.6 mt -43.58 -52.18 6.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -48.75 -48.47 40.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 58.0 tp -60.03 -54.3 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.573 ' CZ3' HD12 ' A' 1467 ' ' LEU . 51.4 t90 -49.55 -47.03 49.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1451 ' ' LEU . 61.4 t -60.22 -50.64 79.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.42 -54.35 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -57.16 -60.42 3.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.593 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 55.3 mm-40 -51.73 -41.57 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 66.76 -115.36 7.21 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.503 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -86.2 -13.31 47.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.846 0.355 . . . . 0.0 110.906 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -75.23 -37.51 61.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.593 ' HB2' ' CB ' ' A' 1458 ' ' GLU . . . -43.29 148.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.571 HD22 ' N ' ' A' 1464 ' ' MET . 0.2 OUTLIER -157.84 125.32 5.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.571 ' N ' HD22 ' A' 1463 ' ' ASN . 6.2 tpt -38.78 -47.74 1.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . 0.52 ' CD ' ' N ' ' A' 1466 ' ' ASN . 2.9 pp20? -52.61 -49.68 64.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1465 ' ' GLU . 29.7 m-20 -56.88 -41.55 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.573 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -58.56 -50.13 74.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.622 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.1 m-85 -55.93 -46.48 78.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 54.7 m -54.57 -45.01 73.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.146 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.74 92.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' 1468 ' ' TYR . 34.8 mt -62.84 -56.31 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -48.32 -32.75 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 27.0 t -65.25 -38.7 91.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.639 HD13 ' HB2' ' A' 1421 ' ' LEU . 12.1 pt -89.23 18.39 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 67.34 40.48 2.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.833 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.604 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -118.23 33.44 5.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.94 -45.15 58.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.451 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -38.76 -34.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.832 0.349 . . . . 0.0 110.892 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 64.1 mt -67.49 -49.52 70.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' 1468 ' ' TYR . 46.2 t -62.04 -26.97 41.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -75.98 -46.54 29.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 7.6 ptp -72.13 -30.73 65.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.527 HD21 HG11 ' A' 1409 ' ' VAL . 10.4 mt -77.23 -54.06 6.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -74.56 -69.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 120.76 -135.02 10.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 4.5 m -127.38 -47.49 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 111.7 -171.37 14.21 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -173.6 132.64 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -52.8 131.48 35.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.4 t -126.24 146.0 50.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -56.84 119.6 6.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -47.86 -71.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.829 HD22 ' N ' ' A' 1494 ' ' LYS . 0.0 OUTLIER -50.65 157.99 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.829 ' N ' HD22 ' A' 1493 ' ' LEU . 2.8 ptpt -129.08 151.54 77.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.596 0.713 . . . . 0.0 110.865 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' 1496 ' ' ASP . 53.8 Cg_endo -69.79 3.67 2.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.317 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . 0.45 ' C ' ' O ' ' A' 1495 ' ' PRO . 32.0 m-20 -33.3 126.58 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.7 m -67.53 137.78 56.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.878 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 87.9 p -69.25 102.66 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.64 75.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.3 t -99.62 91.77 5.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.913 0.387 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 74.3 m -53.96 161.67 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.813 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 88.46 -167.39 35.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 153.64 68.39 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.627 2.218 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.11 96.74 0.12 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 34.1 p -154.65 106.18 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.911 0.386 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.417 ' O ' HD23 ' A' 1397 ' ' LEU . 1.2 pt? -87.05 143.18 27.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 75.5 m -133.57 77.03 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 52.49 64.3 4.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.476 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.682 HG23 ' H ' ' A' 1403 ' ' ALA . 9.5 t -87.54 162.57 17.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.728 0.299 . . . . 0.0 111.167 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' 1402 ' ' GLN . 11.8 pt-20 -47.65 -43.11 25.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.425 ' N ' ' HG3' ' A' 1401 ' ' GLU . 66.1 mt-30 -63.74 -51.43 64.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.682 ' H ' HG23 ' A' 1400 ' ' THR . . . -36.01 -60.28 0.55 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -41.13 -56.56 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 tmm? -58.18 -62.51 1.78 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.44 ' N ' ' HE2' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.6 -70.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' 1451 ' ' LEU . 90.9 mmm -38.7 -59.34 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -47.92 -58.7 4.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.681 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 75.9 t -52.26 -56.64 5.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.56 HG23 HD21 ' A' 1471 ' ' LEU . 81.4 mt -41.24 -43.69 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 8.2 t -72.48 -41.75 65.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.458 ' OE2' HD11 ' A' 1444 ' ' LEU . 51.9 mm-40 -46.79 -55.9 7.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.681 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.2 m170 -71.08 -44.34 65.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.776 HD23 ' HB3' ' A' 1447 ' ' SER . 13.0 tp -34.4 -68.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.98 -93.26 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.3 tp -88.3 -52.37 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.845 0.355 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' 1418 ' ' TRP . 2.9 m -37.98 -27.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.672 ' HA ' HD21 ' A' 1414 ' ' LEU . 9.8 p-90 -35.27 -45.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.908 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.512 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.57 -62.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.473 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 14.2 mm-40 -49.35 -52.27 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.539 HD23 HD13 ' A' 1425 ' ' LEU . 2.8 tt -52.43 -45.51 65.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.59 -58.09 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -48.7 -45.37 39.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -34.71 63.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.743 HD23 ' CD1' ' A' 1454 ' ' TRP . 8.9 mp -81.45 17.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 67.44 43.58 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . 0.532 ' CE1' ' CD2' ' A' 1453 ' ' LEU . 14.0 m-85 -104.08 111.73 24.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 59.6 m -71.14 159.06 35.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 58.8 t -46.96 -42.81 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.097 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.482 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.6 mp0 -43.21 -57.02 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.9 -48.0 80.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.482 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.14 -71.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.501 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -38.8 -46.92 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.501 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.7 ttt180 -54.43 -52.32 62.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.408 HG22 ' HG2' ' A' 1446 ' ' GLN . 71.9 mt -52.43 -40.53 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -59.58 -51.94 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.43 ' C ' ' HD3' ' A' 1440 ' ' PRO . 61.9 t -65.46 -19.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -92.14 -26.01 18.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.575 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.0 m-80 -132.15 46.69 2.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.603 0.716 . . . . 0.0 110.888 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.79 -16.28 37.34 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.328 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -53.78 -45.92 70.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 49.2 m -158.28 171.97 19.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' 1416 ' ' LEU . 12.8 mt -78.83 -45.87 19.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.571 ' O ' HG23 ' A' 1448 ' ' VAL . 41.5 tp -44.04 -38.26 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -66.98 -35.8 80.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.495 ' OE1' ' CE2' ' A' 1418 ' ' TRP . 44.4 mt-30 -64.28 -43.87 93.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.776 ' HB3' HD23 ' A' 1414 ' ' LEU . 19.3 m -63.95 -46.22 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1444 ' ' LEU . 94.3 t -54.88 -55.52 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.41 -44.92 76.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.092 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 34.0 tp -52.29 -57.28 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.435 ' HB3' ' HE3' ' A' 1407 ' ' MET . 68.5 mt -50.45 -53.45 29.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 28.4 m-20 -48.99 -42.7 38.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.844 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.532 ' CD2' ' CE1' ' A' 1427 ' ' PHE . 51.9 tp -65.85 -44.63 84.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.743 ' CD1' HD23 ' A' 1425 ' ' LEU . 71.4 t90 -58.16 -39.02 77.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 73.5 t -67.96 -42.6 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 75.1 mt -68.3 -54.38 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -52.38 -49.44 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.422 ' CB ' ' HB2' ' A' 1462 ' ' ALA . 17.3 mm-40 -68.96 -53.08 22.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.73 -112.87 3.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -73.54 -62.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.898 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' 1462 ' ' ALA . 12.2 m-80 -38.23 -39.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -34.01 110.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' 1464 ' ' MET . 48.9 t-20 -128.33 125.43 38.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.597 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 3.5 tpt -37.5 -41.05 0.42 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -47.03 -59.97 2.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -49.26 -44.95 44.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.474 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.3 tt -56.49 -52.72 63.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.796 ' HA ' HD12 ' A' 1471 ' ' LEU . 27.8 m-85 -55.17 -44.53 75.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 33.3 m -54.4 -50.97 66.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.155 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -57.47 -38.59 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.796 HD12 ' HA ' ' A' 1468 ' ' TYR . 10.3 mt -59.14 -52.52 65.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.01 -32.43 73.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.0 m -55.05 -46.05 75.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 6.8 pt -83.04 11.31 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 22.1 t70 73.1 47.12 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.52 ' HD2' HD11 ' A' 1479 ' ' ILE . 7.3 mmt85 -134.2 43.44 2.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -76.48 -34.97 43.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -41.9 -34.47 0.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.834 0.35 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.631 HG23 ' ND1' ' A' 1413 ' ' HIS . 57.0 mt -65.74 -49.79 75.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.563 HG13 ' CD1' ' A' 1468 ' ' TYR . 21.1 t -61.93 -26.56 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -74.13 -47.88 33.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' 1483 ' ' LEU . 7.2 ptp -66.05 -32.17 73.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.447 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.3 mt -73.28 -59.8 2.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -71.83 174.25 7.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 155.27 57.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.516 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 1.9 t -169.56 137.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.866 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -111.45 141.32 16.52 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . 0.4 ' HD2' ' C ' ' A' 1488 ' ' ARG . 0.0 OUTLIER -80.16 155.47 27.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.887 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -149.71 142.0 24.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 16.5 t -173.75 152.71 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -114.6 140.41 48.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -85.38 165.5 17.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' 1494 ' ' LYS . 12.4 tp -118.41 153.17 34.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.468 ' N ' ' HG ' ' A' 1493 ' ' LEU . 1.7 pptp? -124.93 147.26 56.06 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 143.03 49.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.51 169.56 15.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 4.1 t -97.74 -43.46 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.892 0.377 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.3 t 57.39 42.56 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 173.05 -105.61 0.21 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.5 t 48.5 37.77 9.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 33.8 t -135.98 128.52 30.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 158.51 83.45 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -178.02 2.14 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.729 2.286 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 96.74 -79.36 0.71 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 73.4 m -161.58 159.05 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.965 0.412 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 60.3 mt -43.85 159.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 5.5 t -67.68 -38.84 84.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.82 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 70.01 88.54 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . . . . . . . . . 1.2 p -66.9 -175.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 0.0 111.094 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.422 ' CG ' ' N ' ' A' 1402 ' ' GLN . 10.8 pt-20 -71.06 -53.22 15.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.422 ' N ' ' CG ' ' A' 1401 ' ' GLU . 7.9 pt20 -73.19 -30.51 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . . . . . . . . . . . -41.49 -56.68 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.102 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -43.14 -46.2 5.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.489 ' O ' HG23 ' A' 1409 ' ' VAL . 9.0 ttt -60.1 -49.46 77.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.05 -56.67 12.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.7 mmm -51.07 -68.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -44.18 -55.41 4.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.527 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.9 t -52.07 -47.27 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 39.0 mt -57.43 -39.37 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 75.3 p -72.0 -28.72 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -65.56 -54.1 32.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.527 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.8 m170 -66.52 -47.46 72.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.802 HD23 ' OG ' ' A' 1447 ' ' SER . 11.1 tp -35.62 -68.35 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 58.8 -90.48 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.447 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . . . . . . . . . 2.9 tm? -93.27 -46.91 7.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.9 m -41.91 -26.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.645 ' HA ' HD21 ' A' 1414 ' ' LEU . 12.1 p-90 -35.71 -40.28 0.17 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -60.55 -60.2 4.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.093 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -49.59 -52.78 27.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.456 ' O ' HD23 ' A' 1421 ' ' LEU . 2.7 tt -53.05 -41.35 64.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -59.4 -54.31 48.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -53.26 -35.43 60.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.859 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . 0.411 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.1 OUTLIER -59.73 -31.57 69.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' 1454 ' ' TRP . 40.4 mt -87.76 29.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 52.69 42.38 31.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -91.29 112.81 24.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 50.2 m -68.85 156.92 37.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.809 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.632 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.1 t -44.1 -60.93 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' 1429 ' ' VAL . 34.1 mt-10 -34.21 -49.7 0.38 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . 0.409 ' OD1' ' N ' ' A' 1431 ' ' ASP . 0.5 OUTLIER -63.79 -56.58 14.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.903 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.56 -68.29 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.632 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.6 m-20 -38.65 -51.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.28 -48.53 68.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 85.9 mt -54.58 -37.84 40.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 72.7 mtt-85 -64.72 -44.96 88.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 62.0 t -72.4 -21.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -92.9 -19.45 21.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 20.0 m-80 -128.21 46.18 2.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.56 0.695 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.77 -19.21 36.39 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 16.9 m120 -44.71 -60.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 66.9 m -155.22 177.63 11.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 45.7 mt -71.87 -54.68 9.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.749 ' O ' HG23 ' A' 1448 ' ' VAL . 67.8 tp -43.48 -40.83 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -63.31 -40.27 96.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -60.15 -49.51 77.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.802 ' OG ' HD23 ' A' 1414 ' ' LEU . 10.9 t -59.34 -50.84 72.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' 1444 ' ' LEU . 57.5 t -48.69 -50.93 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.099 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.29 -40.94 83.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.39 -47.36 81.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1455 ' ' VAL . 96.1 mt -59.74 -46.4 89.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -57.24 -44.48 83.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 53.4 tp -64.56 -46.28 83.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.58 ' CD1' HD13 ' A' 1425 ' ' LEU . 51.0 t90 -57.77 -48.03 80.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' 1451 ' ' LEU . 89.8 t -58.69 -46.06 90.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.95 -56.06 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 30.7 mtp180 -51.07 -60.85 2.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.486 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -55.57 -47.65 76.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 73.86 -97.17 0.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -82.26 -59.54 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' 1462 ' ' ALA . 56.1 t-20 -38.98 -41.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -36.56 110.09 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' 1464 ' ' MET . 21.0 t-20 -136.14 132.26 35.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.494 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -37.79 -46.22 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -52.36 -60.17 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -43.14 -49.8 6.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.552 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -54.46 -48.69 71.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.499 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.9 m-85 -59.81 -43.4 94.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 50.8 m -53.97 -46.77 71.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.106 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -64.54 -38.12 89.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.152 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.499 HD12 ' HA ' ' A' 1468 ' ' TYR . 9.2 mt -59.51 -51.11 71.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -58.69 -33.99 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 73.4 m -58.42 -44.22 89.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.849 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.0 pt -84.66 32.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 19.0 t0 51.42 40.69 27.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -128.21 49.33 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -85.13 -23.99 46.25 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -46.85 -40.71 14.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.837 0.351 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 60.9 mt -58.9 -53.15 51.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 14.6 t -58.65 -28.39 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -71.81 -49.71 36.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.449 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.2 ptp -68.92 -33.59 73.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.449 ' N ' ' HG3' ' A' 1482 ' ' MET . 13.2 mt -75.51 -37.07 60.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -114.34 120.15 39.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -97.24 -47.35 2.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.462 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 8.2 t -78.9 104.4 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.99 0.424 . . . . 0.0 110.835 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -120.92 176.86 16.34 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.487 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -44.24 147.2 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -95.74 124.07 39.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 81.2 p -109.52 147.69 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -113.38 123.45 50.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 1.8 m120 -85.44 138.05 32.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.3 109.58 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' 1495 ' ' PRO . 30.6 ttpt -174.2 139.73 0.73 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.608 0.718 . . . . 0.0 110.835 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.77 114.29 3.65 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' 1497 ' ' ARG . 29.7 m-20 -138.47 160.64 39.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' 1496 ' ' ASP . 5.4 tmm_? . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 1.7 t -75.16 142.36 43.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 47.4 m -152.86 111.32 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -63.1 148.9 50.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.1 p -144.49 120.59 10.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 13.4 t -110.33 85.81 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.899 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -162.49 -164.2 16.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 174.95 8.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.659 2.239 . . . . 0.0 112.351 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -45.43 120.42 4.14 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 96.7 p -89.04 -45.38 9.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.938 0.399 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 12.2 tp -99.73 73.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' 1399 ' ' GLY . 92.9 p -102.6 86.59 2.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' 1398 ' ' SER . . . 35.74 86.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.486 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 25.0 m -89.47 144.37 26.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.809 0.338 . . . . 0.0 111.117 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.21 -33.45 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' 1405 ' ' MET . 25.5 pt20 -95.25 -47.9 6.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.486 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -33.34 -41.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.087 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -56.67 -49.61 74.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.52 ' O ' HG23 ' A' 1409 ' ' VAL . 24.0 ttp -63.92 -42.23 97.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.457 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -53.14 -61.15 2.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 21.1 mtp -53.78 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -42.36 -54.63 3.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.613 HG11 HD21 ' A' 1483 ' ' LEU . 68.8 t -57.61 -53.81 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.401 HG13 ' CD1' ' A' 1483 ' ' LEU . 62.6 mt -43.16 -47.88 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 2.1 t -62.25 -46.92 86.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -47.45 -54.09 12.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.595 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 3.4 m170 -72.32 -42.76 65.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.571 HD21 ' HA ' ' A' 1418 ' ' TRP . 12.6 tp -34.3 -65.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 57.98 -93.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -89.37 -50.63 6.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.944 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -35.94 -31.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.611 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.5 p-90 -35.13 -39.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.419 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.59 -62.82 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.082 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.514 ' HB3' HG21 ' A' 1474 ' ' ILE . 4.7 mm-40 -48.29 -47.61 36.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 11.9 tp -54.17 -51.72 63.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -50.16 -47.03 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -56.98 -44.85 83.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -53.68 -34.96 60.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' 1454 ' ' TRP . 31.8 mt -83.03 16.79 2.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 55.65 46.86 21.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -90.63 112.84 24.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 44.9 m -59.84 155.36 16.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 80.3 t -49.89 -35.47 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 34.4 mt-10 -50.41 -51.9 42.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' ' CD2' ' A' 1453 ' ' LEU . 2.0 t70 -67.18 -47.24 71.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.82 -68.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.5 OUTLIER -43.92 -47.19 8.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.0 ttm180 -52.18 -55.11 23.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.4 mt -51.46 -39.23 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 24.5 mtp85 -63.64 -42.96 98.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' 1437 ' ' VAL . 59.2 t -76.96 -13.73 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 -96.01 -31.88 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.1 m-80 -129.9 49.92 5.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' 1439 ' ' ASN . 54.5 Cg_endo -69.71 -24.85 29.42 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.685 2.256 . . . . 0.0 112.355 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -44.65 -65.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 70.6 m -137.74 169.5 17.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' 1446 ' ' GLN . 19.5 mt -74.58 -51.45 14.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.0 tp -37.89 -47.4 1.04 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.6 -42.93 84.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' 1443 ' ' LEU . 41.8 mt-30 -58.53 -44.23 89.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.538 ' CB ' HD23 ' A' 1414 ' ' LEU . 58.1 m -62.65 -53.24 57.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 65.8 t -49.56 -56.72 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -55.09 -53.36 56.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.075 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.611 HD22 ' HE3' ' A' 1418 ' ' TRP . 27.4 tp -45.12 -56.0 5.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 32.3 mt -53.12 -54.64 32.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -44.32 -48.09 9.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.472 ' CD2' ' OD1' ' A' 1431 ' ' ASP . 34.9 tp -57.94 -59.15 5.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.553 ' CZ3' HD12 ' A' 1467 ' ' LEU . 60.1 t90 -47.86 -46.05 30.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 88.3 t -58.31 -42.7 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.07 -59.76 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.189 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -43.82 -52.92 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -66.21 -49.73 66.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 83.0 -110.15 3.21 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.448 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -81.28 -51.27 8.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' 1462 ' ' ALA . 53.8 m-20 -42.65 -37.35 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -35.39 106.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' 1464 ' ' MET . 8.7 t-20 -120.32 121.11 37.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.524 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.5 tpt -34.76 -47.35 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -44.61 -63.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -41.89 -50.04 4.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.627 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.4 tt -53.32 -51.56 61.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.561 ' CD1' HG13 ' A' 1480 ' ' VAL . 28.0 m-85 -56.36 -41.31 75.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 25.9 m -54.82 -52.39 62.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.4 -37.18 77.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.627 HD11 ' CD2' ' A' 1467 ' ' LEU . 72.5 mt -65.51 -49.57 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -64.32 -35.77 81.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.9 m -55.05 -39.1 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.514 HG21 ' HB3' ' A' 1420 ' ' GLU . 7.9 pt -84.76 34.44 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 23.8 t70 44.12 41.87 4.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 15.5 tpp85 -135.03 44.12 2.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -74.14 -22.78 77.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -40.09 -39.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 77.8 mt -64.07 -47.83 88.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.561 HG13 ' CD1' ' A' 1468 ' ' TYR . 40.0 t -63.68 -22.14 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -81.27 -41.7 21.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.584 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.5 ptm -67.75 -36.33 80.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.613 HD21 HG11 ' A' 1409 ' ' VAL . 14.5 mt -75.73 -45.67 35.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -120.71 -71.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 70.76 -167.16 51.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.428 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 24.6 t -147.56 120.22 8.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -172.1 -144.1 4.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -62.47 170.02 2.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 110.911 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . 0.46 ' CG ' ' HG2' ' A' 1491 ' ' ARG . 3.8 pm0 -73.38 -34.2 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . 0.444 ' N ' ' HG2' ' A' 1489 ' ' GLN . 7.2 t 38.33 41.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . 0.46 ' HG2' ' CG ' ' A' 1489 ' ' GLN . 8.8 ptm180 -101.48 127.16 48.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 17.1 p-10 -172.06 164.5 6.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 44.3 mt -81.17 100.83 9.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.79 143.75 39.15 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.54 0.686 . . . . 0.0 110.918 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.97 20.29 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.363 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 27.0 t0 -77.5 109.07 11.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 95.6 p -142.59 118.42 10.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.0 p -83.55 121.62 27.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -101.33 150.88 18.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 31.0 p -167.22 170.06 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.841 0.353 . . . . 0.0 110.856 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 28.0 t -148.25 139.86 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -77.95 154.79 41.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 104.71 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.341 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 130.46 114.38 1.67 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' 1459 ' ' GLY . 46.5 m -88.84 -64.89 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.517 HD12 ' H ' ' A' 1399 ' ' GLY . 0.2 OUTLIER -71.33 114.36 9.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.866 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' 1397 ' ' LEU . 18.4 t -34.5 -45.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . 0.517 ' H ' HD12 ' A' 1397 ' ' LEU . . . 87.89 127.28 2.58 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.486 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.6 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 87.1 m -160.58 139.77 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.76 0.314 . . . . 0.0 111.108 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' 1400 ' ' THR . 5.9 tt0 -34.78 -54.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -74.35 -42.19 59.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.6 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -42.72 -48.84 5.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -44.57 -54.93 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' 1406 ' ' LYS . 21.1 mtp -57.53 -55.57 33.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.487 ' O ' HD12 ' A' 1410 ' ' ILE . 12.3 mmtp -36.41 -52.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 95.0 mmm -61.09 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -50.81 -61.29 2.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.956 HG11 HD21 ' A' 1483 ' ' LEU . 98.3 t -47.77 -52.01 7.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.487 HD12 ' O ' ' A' 1406 ' ' LYS . 31.1 mt -47.13 -43.97 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 13.3 p -74.95 -33.67 61.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -56.44 -42.15 77.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.574 ' CE1' ' SD ' ' A' 1482 ' ' MET . 4.4 m170 -86.65 -35.06 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.737 HD23 ' CB ' ' A' 1447 ' ' SER . 19.5 tp -43.25 -65.03 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 51.73 -94.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -85.36 -50.4 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 50.3 m -39.43 -26.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.84 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.63 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.9 p-90 -39.17 -52.92 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.63 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -47.72 -60.65 2.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -52.08 -49.51 63.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.574 HD12 HD21 ' A' 1450 ' ' LEU . 2.4 tm? -53.76 -45.23 70.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.86 -51.83 67.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -54.15 -38.73 65.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.858 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -36.56 64.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.63 18.65 1.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 59.23 37.17 23.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -80.04 116.4 20.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 57.9 m -67.35 160.93 26.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.604 HG13 ' ND2' ' A' 1433 ' ' ASN . 9.1 t -46.85 -58.97 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' 1429 ' ' VAL . 0.9 OUTLIER -34.1 -53.65 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.64 -57.62 12.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' 1433 ' ' ASN . 77.0 mt -60.19 -69.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.604 ' ND2' HG13 ' A' 1429 ' ' VAL . 20.6 m-20 -37.96 -45.9 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.447 ' NH1' ' OE1' ' A' 1438 ' ' GLU . 29.2 ttp85 -56.02 -51.69 66.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 80.5 mt -53.89 -36.0 29.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 11.2 mtp85 -67.59 -42.0 83.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 61.8 t -76.89 -13.06 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . 0.447 ' OE1' ' NH1' ' A' 1434 ' ' ARG . 39.2 mt-10 -100.03 -24.45 14.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.5 m-80 -130.52 45.25 1.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.9 Cg_endo -69.73 -15.34 37.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.4 p30 -54.12 -55.88 23.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 65.2 m -150.63 177.43 10.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.6 mt -78.36 -51.12 10.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.405 ' O ' HG23 ' A' 1448 ' ' VAL . 51.9 tp -41.56 -42.47 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -63.23 -38.82 92.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' 1443 ' ' LEU . 23.6 mt-30 -62.16 -46.75 87.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.737 ' CB ' HD23 ' A' 1414 ' ' LEU . 19.4 p -58.88 -46.41 87.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' 1444 ' ' LEU . 84.7 t -56.13 -60.22 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.129 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -48.67 -41.84 32.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.574 HD21 HD12 ' A' 1421 ' ' LEU . 25.0 tp -54.91 -64.55 0.8 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' 1455 ' ' VAL . 76.7 mt -43.74 -46.35 7.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.47 -49.32 72.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.11 -53.82 53.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.57 ' CZ3' HD12 ' A' 1467 ' ' LEU . 54.9 t90 -47.15 -40.73 16.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' 1451 ' ' LEU . 95.4 t -65.02 -46.75 90.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.48 -36.73 78.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -61.72 -57.86 10.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.91 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 17.4 mm-40 -65.36 -52.33 54.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . 0.469 ' O ' ' CB ' ' A' 1396 ' ' SER . . . 95.27 -91.92 1.42 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -101.76 -57.64 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.786 0.327 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' 1462 ' ' ALA . 1.6 m-20 -39.93 -41.13 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -34.3 103.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.077 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 59.1 t30 -115.48 146.85 41.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.574 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.1 tpt -51.77 -45.01 63.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -51.77 -55.63 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 56.8 m-20 -48.23 -44.13 32.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.57 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -58.22 -51.55 69.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.603 ' HA ' HD12 ' A' 1471 ' ' LEU . 35.7 m-85 -58.34 -40.12 81.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 45.9 m -62.93 -34.11 76.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.11 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -73.58 -32.78 64.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.2 mt -68.03 -54.66 16.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -49.92 -33.5 17.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.8 m -57.86 -36.2 72.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.595 HD11 ' HG3' ' A' 1476 ' ' ARG . 12.0 pt -96.28 29.88 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 3.4 m-20 56.66 39.04 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.595 ' HG3' HD11 ' A' 1474 ' ' ILE . 1.4 mmp_? -114.47 34.23 4.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -69.25 -34.1 74.55 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.517 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -41.72 -40.55 2.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.1 mt -62.07 -50.45 80.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.458 HG22 ' HD1' ' A' 1468 ' ' TYR . 24.8 t -62.88 -25.32 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -77.04 -46.9 22.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.574 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -71.26 -29.58 65.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.956 HD21 HG11 ' A' 1409 ' ' VAL . 11.2 mt -83.99 -45.86 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.927 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -114.19 -69.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 146.35 -100.16 0.22 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 96.5 p -145.13 146.27 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -94.75 -70.98 1.11 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -119.75 116.47 25.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -75.37 129.01 36.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 41.4 t -79.29 80.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 16.8 ttp85 -82.07 93.42 7.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -102.83 139.78 37.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 9.7 tp -84.72 124.68 31.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.475 ' CD ' ' HD2' ' A' 1495 ' ' PRO . 3.8 tppp? -156.94 137.5 9.11 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.577 0.704 . . . . 0.0 110.898 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . 0.475 ' HD2' ' CD ' ' A' 1494 ' ' LYS . 53.7 Cg_endo -69.75 -40.19 5.63 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.388 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -48.62 152.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.833 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 19.9 m -81.51 -54.56 5.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 10.7 t -62.25 117.53 6.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.92 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -177.58 157.32 21.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 21.0 m -136.41 157.5 46.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.879 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.4 m -121.32 -53.11 2.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 63.89 73.82 0.51 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.557 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 176.83 6.23 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -168.85 154.48 24.18 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.2 t -133.83 137.12 44.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.829 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.429 HD12 ' C ' ' A' 1397 ' ' LEU . 3.2 pp -148.47 139.59 23.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 4.6 m -125.47 84.79 2.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.6 122.23 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.424 ' CG2' ' H ' ' A' 1403 ' ' ALA . 12.6 t -149.82 162.75 39.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.766 0.317 . . . . 0.0 111.15 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' 1402 ' ' GLN . 4.1 pm0 -43.51 -42.49 4.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.438 ' N ' ' HG2' ' A' 1401 ' ' GLU . 1.7 tt0 -73.24 -68.94 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.424 ' H ' ' CG2' ' A' 1400 ' ' THR . . . -41.52 -55.43 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' 1403 ' ' ALA . 12.6 mt-10 -37.63 -51.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 3.3 ttp -63.22 -46.57 86.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -51.32 68.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 39.5 mtp -53.4 -61.68 2.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.49 -53.52 8.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.072 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.666 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 55.1 t -57.18 -57.83 8.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 35.8 mt -38.73 -48.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 6.9 p -62.87 -45.29 93.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.405 ' HA ' ' CD1' ' A' 1444 ' ' LEU . 5.3 mm-40 -49.32 -48.79 46.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.666 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.5 m170 -76.4 -42.64 43.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.729 HD23 ' CB ' ' A' 1447 ' ' SER . 11.1 tp -34.92 -69.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 64.66 -92.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.722 HD13 ' O ' ' A' 1416 ' ' LEU . 1.8 tm? -97.18 -49.59 4.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' 1420 ' ' GLU . 0.9 OUTLIER -38.53 -26.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.531 ' HE3' HD12 ' A' 1450 ' ' LEU . 13.6 p-90 -34.97 -43.45 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -59.57 -45.57 91.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.142 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1417 ' ' SER . 31.1 mt-10 -62.59 -46.02 90.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' 1421 ' ' LEU . 2.0 tt -56.79 -48.34 78.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . 0.859 ' HB2' HD11 ' A' 1450 ' ' LEU . . . -56.74 -44.11 81.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.075 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -56.82 -45.11 82.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -53.51 -34.76 59.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' 1454 ' ' TRP . 23.8 mt -81.44 15.81 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 57.65 46.63 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -87.96 113.89 24.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 34.4 m -61.67 154.83 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.627 HG13 ' ND2' ' A' 1433 ' ' ASN . 11.9 t -43.46 -61.03 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' 1429 ' ' VAL . 25.1 mm-40 -34.24 -50.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -60.95 -56.89 15.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.466 ' HA ' HD12 ' A' 1435 ' ' ILE . 64.3 mt -62.71 -68.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.627 ' ND2' HG13 ' A' 1429 ' ' VAL . 21.7 m-20 -38.98 -54.6 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -51.83 -47.15 64.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.466 HD12 ' HA ' ' A' 1432 ' ' ILE . 39.6 mt -53.76 -39.13 37.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 67.1 mtt-85 -67.45 -41.15 85.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' 1437 ' ' VAL . 48.8 t -76.05 -12.77 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . 0.444 ' C ' ' CD ' ' A' 1440 ' ' PRO . 49.4 mt-10 -101.62 -29.35 11.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.59 ' N ' ' CD ' ' A' 1440 ' ' PRO . 9.0 m-80 -121.97 45.17 0.92 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.614 0.721 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.5 Cg_endo -69.76 -23.07 31.22 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 4.8 m120 -41.92 -62.31 0.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 42.0 m -150.2 -175.88 5.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.812 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' 1446 ' ' GLN . 43.3 mt -79.55 -57.93 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.706 ' O ' HG23 ' A' 1448 ' ' VAL . 27.2 tp -37.16 -41.06 0.35 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -64.91 -43.72 91.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' 1443 ' ' LEU . 33.2 mt-30 -58.94 -49.67 76.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.729 ' CB ' HD23 ' A' 1414 ' ' LEU . 3.4 p -57.78 -48.24 80.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' 1444 ' ' LEU . 71.1 t -57.35 -41.26 78.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.54 87.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.859 HD11 ' HB2' ' A' 1422 ' ' ALA . 1.4 tt -62.25 -46.0 90.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' 1455 ' ' VAL . 69.2 mt -62.69 -51.55 66.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.6 m-20 -50.76 -48.1 59.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 36.5 tp -61.58 -50.87 70.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.529 ' CZ3' HD12 ' A' 1467 ' ' LEU . 45.3 t90 -53.19 -51.62 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' 1451 ' ' LEU . 58.2 t -55.15 -44.97 76.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.11 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.16 -59.98 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -43.14 -53.61 4.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -68.49 -44.26 75.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 76.77 -88.74 0.95 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.434 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -96.35 -54.22 3.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.805 0.336 . . . . 0.0 110.918 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.9 m-80 -40.6 -37.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.23 101.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' 1464 ' ' MET . 9.6 t-20 -121.4 126.24 48.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.513 ' CG ' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -35.12 -47.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -44.92 -54.76 6.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -51.49 -46.99 63.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.529 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.5 tt -56.79 -52.95 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.513 ' CE2' ' CG ' ' A' 1464 ' ' MET . 21.4 m-85 -54.64 -39.29 67.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 42.1 m -58.16 -50.73 72.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.166 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -59.75 -37.4 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' 1467 ' ' LEU . 75.6 mt -62.81 -57.06 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -54.0 -31.46 51.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 37.0 m -68.72 -42.47 77.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' 1421 ' ' LEU . 29.6 pt -82.81 17.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 67.86 31.25 5.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.423 ' HG3' HD11 ' A' 1474 ' ' ILE . 0.5 OUTLIER -109.39 31.75 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -61.68 -42.74 99.8 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -42.04 -39.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.68 -43.69 88.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 41.3 t -67.41 -21.44 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -82.92 -47.35 11.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.601 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 4.8 ptm -69.77 -32.34 70.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.62 -56.65 4.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.946 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -78.37 163.83 25.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -123.11 -90.41 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.498 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 3.8 m -116.23 143.08 45.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -139.76 113.02 0.87 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -81.65 171.66 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.776 0.322 . . . . 0.0 110.869 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.42 101.26 8.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 129.89 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.84 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -135.7 140.35 44.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.848 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.23 166.01 34.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' 1493 ' ' LEU . 4.6 pp -174.4 172.77 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.83 142.55 22.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.557 0.694 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.72 158.95 55.25 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -173.34 157.0 3.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.823 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 50.8 m -142.2 144.17 33.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.867 0.365 . . . . 0.0 110.851 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 3.2 m -84.77 134.45 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -115.77 -74.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 83.2 p -95.15 97.48 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.37 . . . . 0.0 110.843 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 78.1 p -78.7 -50.86 10.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 94.49 74.82 1.26 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -179.64 3.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.258 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 92.19 121.74 2.88 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 87.1 p -42.65 150.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.894 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.785 ' H ' HD23 ' A' 1397 ' ' LEU . 0.3 OUTLIER -66.76 -40.89 88.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' 1397 ' ' LEU . 74.9 p 36.46 48.38 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.81 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 71.14 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.468 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.719 HG22 ' H ' ' A' 1402 ' ' GLN . 98.6 m -90.52 134.6 34.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.303 . . . . 0.0 111.163 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -38.9 -29.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.719 ' H ' HG22 ' A' 1400 ' ' THR . 8.4 mm100 -90.43 -43.53 10.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -33.98 -61.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' 1403 ' ' ALA . 3.1 tm-20 -35.48 -57.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' 1406 ' ' LYS . 12.9 ttp -57.83 -60.76 3.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' 1405 ' ' MET . 4.8 mmmm -34.3 -61.43 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 96.3 mmm -52.41 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.884 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -40.25 -49.18 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.089 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.668 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 69.3 t -61.8 -63.23 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' 1409 ' ' VAL . 47.5 mt -37.72 -43.81 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.6 p -69.0 -37.97 78.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' 1409 ' ' VAL . 12.7 mm-40 -58.26 -50.19 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.668 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 7.4 m170 -71.65 -42.94 66.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.597 HD23 ' HB3' ' A' 1447 ' ' SER . 7.8 tp -34.81 -68.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.41 -84.28 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.471 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' 1416 ' ' LEU . 1.4 tm? -98.78 -48.76 4.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.348 . . . . 0.0 110.952 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' 1418 ' ' TRP . 1.8 m -37.46 -33.59 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.49 ' CG ' ' N ' ' A' 1419 ' ' ALA . 5.7 p-90 -35.11 -43.9 0.22 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.936 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.49 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -56.36 -60.13 3.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.101 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' 1474 ' ' ILE . 21.9 mm-40 -56.1 -51.58 67.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1471 ' ' LEU . 1.9 tm? -51.56 -36.4 45.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.952 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -64.66 -54.97 23.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -51.62 -34.86 39.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.89 76.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.22 15.19 2.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 65.53 33.93 8.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -81.25 113.84 19.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 19.7 m -64.76 155.93 32.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.469 HG12 HD22 ' A' 1433 ' ' ASN . 32.5 t -50.66 -36.71 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 1.4 mp0 -50.8 -52.01 45.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.33 -46.89 78.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 78.5 mt -60.7 -70.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -43.02 -43.3 4.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.486 ' N ' ' OD1' ' A' 1433 ' ' ASN . 24.0 ttm180 -57.28 -52.8 63.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 76.3 mt -51.74 -41.22 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 32.1 mtp180 -59.94 -48.53 81.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.422 ' C ' ' HD3' ' A' 1440 ' ' PRO . 62.0 t -67.42 -23.25 29.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.197 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.95 -29.23 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.523 ' N ' ' CD ' ' A' 1440 ' ' PRO . 5.6 m-80 -127.68 49.28 4.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.523 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.74 -27.38 26.64 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 3.0 m120 -42.9 -64.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 61.1 m -141.95 172.68 12.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' 1446 ' ' GLN . 36.5 mt -75.53 -50.49 15.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.479 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -40.75 -42.25 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -62.87 -38.41 90.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' 1443 ' ' LEU . 35.8 mt-30 -62.14 -47.53 84.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.597 ' HB3' HD23 ' A' 1414 ' ' LEU . 14.5 m -58.3 -46.88 85.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' 1444 ' ' LEU . 87.7 t -55.25 -56.45 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.05 -44.63 67.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . . . . . . . . . 14.0 tp -52.14 -60.8 2.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.492 ' O ' HG23 ' A' 1455 ' ' VAL . 69.3 mt -47.61 -54.22 12.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -45.15 -49.21 12.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 61.2 tp -61.07 -55.25 34.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' 1467 ' ' LEU . 71.1 t90 -49.64 -37.86 29.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' 1451 ' ' LEU . 96.3 t -68.27 -41.56 83.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.126 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 64.0 mt -68.83 -51.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -52.39 -54.82 26.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.584 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 7.9 mm-40 -64.81 -50.9 64.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 79.6 -102.41 1.98 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -86.76 -57.13 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' 1462 ' ' ALA . 0.6 OUTLIER -39.97 -40.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.584 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.36 138.9 0.28 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' 1464 ' ' MET . 2.7 t30 -156.46 131.54 9.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.486 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.3 tpt -35.63 -53.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -44.27 -59.78 2.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -43.76 -48.95 8.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.496 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.5 tt -56.05 -49.47 73.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.939 ' HA ' HD12 ' A' 1471 ' ' LEU . 21.7 m-85 -58.7 -49.77 76.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 91.5 m -49.45 -43.81 45.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.5 -37.48 85.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.071 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.939 HD12 ' HA ' ' A' 1468 ' ' TYR . 22.2 mt -60.01 -49.86 76.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -55.29 -34.45 64.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 7.8 t -56.4 -40.6 74.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.48 ' CG2' ' HB3' ' A' 1420 ' ' GLU . 7.3 pt -84.19 30.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 14.4 t0 48.8 39.64 14.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -134.98 55.28 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -89.23 -15.73 58.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -48.98 -46.08 43.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' 1413 ' ' HIS . 96.3 mt -55.55 -45.46 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 40.7 t -62.77 -22.58 30.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -78.87 -43.09 25.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.1 ptp -71.82 -27.25 62.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' 1483 ' ' LEU . 10.7 mt -84.86 -39.91 17.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.3 165.04 15.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -131.04 -166.65 11.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 16.8 m -149.56 143.57 25.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.381 . . . . 0.0 110.84 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -116.25 -119.59 3.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -62.56 135.34 57.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.756 0.312 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -99.27 -43.5 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 55.9 p -118.55 87.66 2.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 31.9 ttt180 -85.62 41.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -43.92 -60.3 1.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 1.5 pt? -164.08 158.03 18.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.1 mttt -70.38 142.57 89.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.584 0.707 . . . . 0.0 110.904 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 116.05 4.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.678 2.252 . . . . 0.0 112.349 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -168.42 134.33 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 36.0 m -155.48 167.28 30.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 1.6 t -84.22 87.22 7.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.33 140.61 3.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.529 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 13.3 t -108.75 144.99 35.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 14.2 m -86.12 95.36 9.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 151.68 87.09 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.439 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 3.04 3.0 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.371 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -151.11 -124.72 1.18 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 12.0 t -160.26 135.94 8.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 3.3 tt -100.86 78.33 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 7.1 t -104.08 30.68 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 60.97 88.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.495 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' 1401 ' ' GLU . 8.6 t -91.53 167.61 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.763 0.316 . . . . 0.0 111.1 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.452 ' HG3' ' NE2' ' A' 1402 ' ' GLN . 5.9 pt-20 -36.22 -48.02 0.61 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.452 ' NE2' ' HG3' ' A' 1401 ' ' GLU . 3.3 mp0 -61.61 -50.77 71.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' 1402 ' ' GLN . . . -35.74 -48.22 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -61.58 -54.95 36.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.553 ' O ' HG23 ' A' 1409 ' ' VAL . 31.6 ttp -53.64 -48.96 68.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -53.77 -69.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.939 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' 1406 ' ' LYS . 93.6 mmm -36.8 -63.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -46.15 -46.8 17.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.078 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.826 HG11 HD21 ' A' 1483 ' ' LEU . 53.6 t -63.04 -59.84 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.567 HD11 ' HE2' ' A' 1464 ' ' MET . 74.3 mt -37.79 -42.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . 0.541 ' OG ' HD11 ' A' 1451 ' ' LEU . 1.8 m -78.34 -37.47 44.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' 1409 ' ' VAL . 4.2 mm-40 -50.06 -44.4 51.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.504 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.3 m170 -84.35 -38.27 20.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.659 HD23 ' CB ' ' A' 1447 ' ' SER . 15.1 tp -36.72 -64.97 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 53.64 -91.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.9 tp -89.84 -49.81 6.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.859 0.362 . . . . 0.0 110.961 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . . . . . . . . . 28.8 m -39.53 -25.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.628 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.8 p-90 -38.31 -43.0 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.47 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -61.17 -53.86 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -55.12 -51.45 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 30.1 tp -53.32 -53.49 50.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -47.92 -53.69 15.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 32.0 tpt85 -53.86 -38.03 64.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' 1424 ' ' GLU . 0.0 OUTLIER -61.49 -30.94 70.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.65 HD13 ' CD1' ' A' 1454 ' ' TRP . 23.5 mt -85.81 25.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 53.17 46.04 27.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -94.65 111.9 23.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 70.1 m -62.52 155.85 24.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.541 HG12 HD22 ' A' 1433 ' ' ASN . 56.1 t -48.09 -48.52 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.156 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.442 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 27.7 mt-10 -41.58 -52.62 3.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -64.63 -47.74 77.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 85.8 mt -60.69 -72.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.541 HD22 HG12 ' A' 1429 ' ' VAL . 0.6 OUTLIER -41.04 -43.9 2.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.493 ' N ' ' OD1' ' A' 1433 ' ' ASN . 28.4 ttm-85 -54.99 -51.43 66.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 64.5 mt -55.89 -39.54 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 23.1 mtp85 -60.92 -42.46 98.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 60.1 t -76.83 -18.66 14.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -94.79 -17.58 22.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.593 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.3 m-80 -134.12 45.27 1.47 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.615 0.722 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.593 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.6 Cg_endo -69.79 -15.97 37.23 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.667 2.244 . . . . 0.0 112.31 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 12.3 m120 -47.71 -57.83 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 68.7 m -158.31 179.26 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 18.6 mt -72.56 -53.76 11.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 60.5 tp -42.89 -42.47 3.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.89 -40.95 99.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.458 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 15.2 mt-30 -58.9 -49.8 76.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.659 ' CB ' HD23 ' A' 1414 ' ' LEU . 30.0 p -56.54 -52.31 65.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 79.5 t -48.45 -51.43 10.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.27 84.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.468 ' O ' HD23 ' A' 1450 ' ' LEU . 0.2 OUTLIER -54.47 -44.64 72.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' 1455 ' ' VAL . 74.5 mt -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.944 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.9 m-20 -50.65 -45.03 57.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.64 -54.11 36.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.65 ' CD1' HD13 ' A' 1425 ' ' LEU . 50.7 t90 -49.45 -46.96 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' 1451 ' ' LEU . 59.1 t -58.57 -50.49 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.47 -48.83 84.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -50.88 -65.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.704 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 4.3 mm-40 -57.95 -51.53 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 92.57 -83.53 1.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -110.2 -46.21 3.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.817 0.342 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 2.0 m120 -47.02 -39.97 13.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -38.36 102.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 65.0 t-20 -115.32 128.95 56.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.567 ' HE2' HD11 ' A' 1410 ' ' ILE . 4.9 tpt -35.58 -44.05 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -52.39 -61.22 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -42.39 -46.92 4.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.558 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.4 tt -58.3 -51.46 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.834 ' HA ' HD12 ' A' 1471 ' ' LEU . 22.9 m-85 -53.49 -48.93 68.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 22.3 m -54.46 -44.37 72.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -61.78 -34.59 76.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.834 HD12 ' HA ' ' A' 1468 ' ' TYR . 16.5 mt -63.52 -56.01 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -51.75 -37.79 52.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 3.5 m -53.73 -33.68 56.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 21.1 pt -103.6 31.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.152 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 56.41 34.28 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' 1476 ' ' ARG . 1.5 mmp_? -115.48 37.88 3.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.847 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -82.21 -37.83 14.33 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' 1477 ' ' GLY . 31.4 tt0 -37.3 -39.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' 1413 ' ' HIS . 91.5 mt -62.34 -55.35 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . . . . . . . . . 20.5 t -53.68 -28.14 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -72.74 -46.66 52.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.2 ptp -75.22 -20.03 59.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.826 HD21 HG11 ' A' 1409 ' ' VAL . 9.1 mt -86.94 -45.32 10.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -101.89 99.55 9.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -142.32 -105.5 0.56 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 36.8 m -156.91 166.37 33.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.832 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -163.59 -133.97 1.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.484 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -95.68 92.48 6.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -174.37 117.03 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 38.0 t -158.59 141.67 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 71.3 mtt85 -69.89 98.67 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 3.2 m120 -92.26 124.04 36.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 5.6 mp -129.17 153.61 47.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.7 143.73 47.72 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.71 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 105.61 1.51 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.64 2.227 . . . . 0.0 112.335 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -78.27 161.6 27.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 32.0 t -116.21 126.33 53.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 66.2 m -137.19 139.0 40.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . -111.34 138.12 14.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 32.7 t -106.77 161.16 14.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.895 0.379 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 10.3 m -128.53 99.5 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 164.34 68.37 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 157.41 60.46 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.656 2.237 . . . . 0.0 112.349 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -173.55 -152.02 8.57 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 13.6 t -122.64 96.42 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.886 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.78 115.01 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 58.6 m -111.04 -47.42 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 139.73 131.63 2.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.53 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' 1403 ' ' ALA . 0.1 OUTLIER -143.17 144.77 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.804 0.335 . . . . 0.0 111.135 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -39.37 -39.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -67.3 -39.33 85.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' 1400 ' ' THR . . . -51.14 -50.74 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -49.67 -48.21 49.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 10.3 ttp -60.12 -60.7 3.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.1 OUTLIER -43.05 -50.81 5.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.468 ' HA ' HD12 ' A' 1410 ' ' ILE . 21.8 mtp -52.38 -63.45 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -43.1 -56.16 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.684 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.1 t -54.39 -57.96 4.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' 1407 ' ' MET . 44.4 mt -38.99 -42.53 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 3.1 t -75.12 -44.62 46.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -43.16 -47.14 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.684 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 1.9 m170 -81.15 -48.09 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.53 HD21 ' HA ' ' A' 1418 ' ' TRP . 16.6 tp -34.44 -64.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 49.65 -90.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.49 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1418 ' ' TRP . 3.5 tp -87.62 -52.65 5.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' 1418 ' ' TRP . 4.4 m -37.11 -28.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.603 ' HE3' HD22 ' A' 1450 ' ' LEU . 5.8 p-90 -35.98 -49.26 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.569 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.37 -52.59 61.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -57.42 -50.39 73.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . . . . . . . . . 52.2 tp -54.99 -47.89 74.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -53.86 -53.17 56.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.085 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -52.28 -40.67 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.854 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.74 68.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -81.21 14.33 2.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 60.65 45.45 10.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.62 113.9 23.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.1 m -59.7 160.88 6.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.605 HG13 ' ND2' ' A' 1433 ' ' ASN . 12.5 t -49.5 -60.46 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.177 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' 1434 ' ' ARG . 0.4 OUTLIER -35.45 -45.87 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . 0.472 ' OD1' HD21 ' A' 1453 ' ' LEU . 4.0 t70 -63.9 -56.54 14.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.532 HG23 ' CH2' ' A' 1418 ' ' TRP . 68.5 mt -64.65 -64.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.605 ' ND2' HG13 ' A' 1429 ' ' VAL . 22.2 m-20 -42.9 -46.13 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.433 ' CB ' ' O ' ' A' 1430 ' ' GLU . 27.5 ttm180 -55.37 -60.17 3.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 20.7 mt -45.16 -38.05 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 16.5 mtp180 -66.19 -40.54 90.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1437 ' ' VAL . 95.1 t -77.01 -16.2 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -95.24 -33.43 12.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.574 ' N ' ' CD ' ' A' 1440 ' ' PRO . 0.2 OUTLIER -126.31 46.45 1.89 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.616 0.722 . . . . 0.0 110.885 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.78 -17.07 37.69 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.711 2.274 . . . . 0.0 112.333 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -51.01 -60.97 2.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.1 m -142.18 174.68 10.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' 1446 ' ' GLN . 15.2 mt -78.52 -52.55 8.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' 1448 ' ' VAL . 10.8 tp -38.99 -45.84 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -58.93 -40.91 86.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.491 ' OE1' ' NE1' ' A' 1418 ' ' TRP . 50.7 mt-30 -59.83 -48.99 79.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . . . . . . . . . 54.4 m -56.32 -43.93 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' 1444 ' ' LEU . 99.5 t -56.91 -66.18 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.18 -52.02 16.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.603 HD22 ' HE3' ' A' 1418 ' ' TRP . 17.1 tp -46.09 -61.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 30.3 mt -46.4 -52.57 12.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -49.38 -48.77 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.472 HD21 ' OD1' ' A' 1431 ' ' ASP . 51.5 tp -57.95 -57.84 11.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.565 ' CZ3' HD12 ' A' 1467 ' ' LEU . 64.9 t90 -43.79 -43.68 6.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 92.0 t -63.87 -41.3 92.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 84.0 mt -69.45 -56.34 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -46.1 -61.58 1.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.564 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 16.0 mm-40 -62.23 -43.63 98.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 71.99 -104.29 1.45 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.18 -36.68 24.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -56.32 -40.24 74.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.564 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -41.17 149.8 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.055 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' 1464 ' ' MET . 18.3 t-20 -165.83 126.51 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.581 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.7 tpt -37.25 -39.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.69 -56.85 16.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -51.65 -43.08 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.565 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -56.26 -50.92 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.618 ' HA ' HD12 ' A' 1471 ' ' LEU . 26.3 m-85 -59.07 -44.53 91.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 84.4 m -54.07 -43.51 70.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.128 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -66.54 -39.06 88.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' 1468 ' ' TYR . 25.8 mt -59.19 -46.77 87.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -59.48 -44.26 93.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 70.8 m -45.4 -45.79 12.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 7.1 pt -86.79 32.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.13 45.09 28.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . 0.683 ' HG3' HD12 ' A' 1479 ' ' ILE . 3.5 tpm_? -126.28 37.9 4.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -71.71 -36.89 61.73 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' 1477 ' ' GLY . 11.7 tp10 -36.64 -55.59 0.86 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.683 HD12 ' HG3' ' A' 1476 ' ' ARG . 81.2 mt -45.06 -58.41 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.149 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.497 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.4 t -56.27 -25.24 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -73.21 -44.24 59.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.401 ' HG3' ' N ' ' A' 1483 ' ' LEU . 8.1 ptp -74.35 -29.77 61.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' 1483 ' ' LEU . 9.9 mt -78.37 -44.5 24.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -92.66 119.52 32.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . 138.66 95.25 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 26.6 m -143.48 172.55 12.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 124.04 74.22 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.77 99.24 5.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.844 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . 0.431 ' CD ' ' O ' ' A' 1489 ' ' GLN . 0.1 OUTLIER 41.22 41.88 1.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 1.3 t -124.97 87.05 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -97.16 97.22 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . 0.43 ' OD1' ' C ' ' A' 1492 ' ' ASN . 2.8 p30 -67.15 161.02 25.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.94 114.16 18.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 29.1 ttmt -105.47 127.93 27.58 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.564 0.697 . . . . 0.0 110.9 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 135.56 30.77 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.731 2.287 . . . . 0.0 112.349 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -85.71 140.33 30.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.889 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 21.2 m -93.43 109.94 21.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 69.3 p -51.11 117.27 2.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.83 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 179.29 147.82 7.44 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -123.04 133.67 54.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 110.858 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 62.4 p -127.63 175.5 8.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 157.19 -162.94 32.15 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 159.64 52.63 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . -157.41 99.59 0.19 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 72.8 m -125.05 133.77 52.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.821 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 2.0 tp -108.47 117.9 35.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 17.7 t -124.46 78.24 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 38.73 67.59 0.54 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.695 ' HB ' ' HB2' ' A' 1403 ' ' ALA . 15.3 m -56.51 144.4 31.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.737 0.303 . . . . 0.0 111.176 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' 1401 ' ' GLU . 3.0 pm0 -45.01 -39.35 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -92.27 -27.93 17.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.695 ' HB2' ' HB ' ' A' 1400 ' ' THR . . . -44.56 -57.01 3.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -38.78 -50.05 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 4.1 tmm? -61.3 -45.55 94.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.821 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.46 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -54.26 -54.58 38.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 94.9 mmm -57.66 -57.89 10.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.52 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.623 HG11 HD21 ' A' 1483 ' ' LEU . 65.3 t -64.55 -52.06 59.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . . . . . . . . . 47.1 mt -41.02 -43.16 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 1.3 t -73.07 -44.73 60.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -43.68 -48.7 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.606 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 2.6 m170 -79.79 -43.33 22.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.814 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.505 HD23 ' CB ' ' A' 1447 ' ' SER . 10.8 tp -34.32 -69.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 55.28 -85.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -94.3 -52.05 4.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.881 0.372 . . . . 0.0 110.972 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' 1418 ' ' TRP . 0.7 OUTLIER -39.03 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.504 ' CH2' HG23 ' A' 1432 ' ' ILE . 5.6 p-90 -37.42 -42.4 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.466 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -57.75 -55.23 37.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.92 -52.73 63.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.811 HD13 HD23 ' A' 1471 ' ' LEU . 55.5 tp -51.57 -42.62 62.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -56.83 -55.29 36.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -49.26 -46.55 46.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.26 -31.61 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.779 HD23 ' CD1' ' A' 1454 ' ' TRP . 9.9 mp -83.9 24.22 0.93 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 54.28 45.89 26.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . 0.474 ' CE1' HD23 ' A' 1453 ' ' LEU . 5.2 m-85 -101.17 111.81 24.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.6 m -68.38 157.03 36.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . 0.443 HG12 HD22 ' A' 1433 ' ' ASN . 51.6 t -46.44 -40.46 4.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.469 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 3.4 mp0 -44.7 -57.54 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.19 -46.45 87.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.504 HG23 ' CH2' ' A' 1418 ' ' TRP . 81.0 mt -60.62 -73.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.469 ' ND2' ' HA ' ' A' 1430 ' ' GLU . 0.9 OUTLIER -39.31 -44.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.407 ' N ' ' OD1' ' A' 1433 ' ' ASN . 36.4 ttm180 -54.84 -56.7 16.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.419 HG22 ' HG2' ' A' 1446 ' ' GLN . 90.2 mt -49.49 -39.26 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -63.03 -42.25 99.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.423 ' C ' ' HD3' ' A' 1440 ' ' PRO . 98.9 t -76.07 -18.17 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -91.62 -28.22 17.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.562 ' N ' ' CD ' ' A' 1440 ' ' PRO . 2.0 m-80 -130.18 47.02 2.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.623 0.725 . . . . 0.0 110.892 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.1 Cg_endo -69.81 -7.33 20.79 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.656 2.237 . . . . 0.0 112.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 p30 -64.14 -50.19 69.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 74.6 m -151.65 168.2 25.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.17 -43.53 42.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.676 ' O ' HG23 ' A' 1448 ' ' VAL . 30.3 tp -47.47 -40.7 18.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.954 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -65.27 -35.46 81.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.419 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.3 mt-30 -65.49 -50.16 66.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.965 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.505 ' CB ' HD23 ' A' 1414 ' ' LEU . 1.1 p -56.89 -47.93 79.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1444 ' ' LEU . 66.4 t -53.61 -58.75 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.095 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -52.3 -45.1 65.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.065 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.458 HD22 ' HE3' ' A' 1418 ' ' TRP . 20.2 tp -51.03 -60.28 3.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . . . . . . . . . 61.6 mt -48.46 -51.2 28.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.956 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -49.16 -44.12 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.474 HD23 ' CE1' ' A' 1427 ' ' PHE . 41.6 tp -63.78 -47.89 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.779 ' CD1' HD23 ' A' 1425 ' ' LEU . 74.5 t90 -55.55 -46.04 77.19 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 96.7 t -59.97 -42.03 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 69.6 mt -68.83 -58.16 6.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -44.65 -49.27 10.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 5.7 mm-40 -69.12 -53.11 21.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 74.19 -69.63 1.62 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -118.23 -56.18 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.893 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -46.49 -20.74 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -51.92 149.72 4.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.076 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -161.88 133.67 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.56 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.4 tpt -49.86 -37.42 30.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.15 -63.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -43.46 -49.2 7.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.591 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.3 tt -53.15 -51.62 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.665 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.5 m-85 -55.81 -45.16 78.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 17.3 m -51.83 -50.45 60.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.179 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . 0.474 ' O ' HG23 ' A' 1474 ' ' ILE . . . -57.89 -44.23 86.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.811 HD23 HD13 ' A' 1421 ' ' LEU . 21.2 mt -59.54 -56.53 20.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -57.63 -41.09 80.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 4.9 m -58.8 -31.84 68.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' 1470 ' ' ALA . 12.5 pt -94.21 17.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 69.9 34.78 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -125.75 38.97 4.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' 1478 ' ' GLU . . . -80.39 -35.85 25.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' 1477 ' ' GLY . 18.7 tt0 -37.11 -39.58 0.26 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.816 0.341 . . . . 0.0 110.912 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . 0.407 HG23 ' ND1' ' A' 1413 ' ' HIS . 88.1 mt -62.37 -52.8 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.529 HG13 ' CD1' ' A' 1468 ' ' TYR . 4.8 t -54.58 -32.14 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -68.39 -51.99 37.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . . . . . . . . . 5.5 ptp -67.66 -20.68 65.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.623 HD21 HG11 ' A' 1409 ' ' VAL . 8.2 mt -84.21 -52.86 5.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -88.3 138.53 31.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -141.39 138.45 8.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 13.1 t -86.51 103.24 14.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.901 0.381 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . -168.0 -164.57 23.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -96.73 142.75 28.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.816 0.341 . . . . 0.0 110.847 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -132.23 141.31 48.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 37.2 m -41.58 -59.09 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 25.4 ttm180 39.1 43.52 0.84 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 21.7 m120 -106.84 90.34 3.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.425 ' HA ' HD22 ' A' 1493 ' ' LEU . 0.6 OUTLIER -46.35 106.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 32.6 mttp -90.24 150.59 43.43 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.523 0.677 . . . . 0.0 110.917 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 -16.44 37.28 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 5.6 t70 -71.01 155.44 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 16.6 m -80.56 108.1 13.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 73.6 p -48.93 158.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 143.45 68.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 38.9 p -53.88 106.7 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.855 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 15.8 t -90.76 117.07 29.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . -91.6 158.16 25.07 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -12.58 33.33 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.723 2.282 . . . . 0.0 112.345 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 139.43 133.18 3.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 80.8 p -122.49 167.7 13.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.902 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.87 134.27 56.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . . . . . . . . . 42.5 t -117.11 -40.82 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . . . . . . . . . . . 89.66 117.05 1.66 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.533 HG23 ' H ' ' A' 1403 ' ' ALA . 5.7 t -123.72 -175.63 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.445 ' N ' ' OG1' ' A' 1400 ' ' THR . 8.7 tt0 -61.1 -69.36 0.24 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' 1403 ' ' ALA . 16.8 pt20 -45.53 -47.52 14.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.533 ' H ' HG23 ' A' 1400 ' ' THR . . . -33.81 -64.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' 1403 ' ' ALA . 11.3 tt0 -35.36 -59.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' 1406 ' ' LYS . 1.2 ttp -56.11 -57.83 10.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' 1406 ' ' LYS . 0.0 OUTLIER -35.46 -57.69 0.61 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . . . . . . . . . 98.0 mmm -56.99 -67.01 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -38.28 -51.93 1.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.659 ' CG1' ' CE1' ' A' 1413 ' ' HIS . 70.6 t -57.61 -62.09 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' 1409 ' ' VAL . 66.5 mt -35.05 -46.23 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' 1451 ' ' LEU . 15.6 p -66.31 -43.28 86.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' 1409 ' ' VAL . 17.1 mm-40 -51.74 -51.76 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.659 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 5.9 m170 -73.74 -41.13 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.809 HD23 ' CB ' ' A' 1447 ' ' SER . 26.0 tp -37.09 -64.78 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 52.03 -94.16 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.456 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' 1418 ' ' TRP . 4.2 tp -84.56 -53.1 5.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.467 ' OG ' HD11 ' A' 1474 ' ' ILE . 2.8 t -35.88 -30.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.641 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.4 p-90 -34.84 -47.48 0.35 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.54 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -54.05 -60.94 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -57.93 -44.31 86.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1471 ' ' LEU . 2.3 tm? -54.08 -38.78 65.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . 0.412 ' HB2' HD13 ' A' 1450 ' ' LEU . . . -67.17 -49.46 64.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -49.54 -45.33 47.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -51.22 -34.76 33.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.444 HD11 ' NE1' ' A' 1454 ' ' TRP . 4.2 mm? -85.1 26.05 0.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 52.92 35.73 19.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -81.76 113.79 19.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 67.4 m -68.56 156.32 38.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 71.5 t -46.94 -42.4 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.476 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 21.9 mt-10 -43.97 -54.96 4.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -64.52 -47.68 77.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . 0.421 HG23 ' CH2' ' A' 1418 ' ' TRP . 71.7 mt -59.96 -70.91 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.6 OUTLIER -40.5 -46.74 2.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.503 ' N ' ' OD1' ' A' 1433 ' ' ASN . 78.6 ttt180 -52.67 -54.6 31.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . . . . . . . . . 66.6 mt -52.2 -39.64 27.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -60.09 -43.49 95.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . . . . . . . . . 55.0 t -77.38 -20.29 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.22 -23.07 20.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.531 ' N ' ' CD ' ' A' 1440 ' ' PRO . 3.6 m-80 -133.62 48.62 3.44 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.596 0.712 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.531 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.8 Cg_endo -69.71 -21.68 33.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.694 2.263 . . . . 0.0 112.327 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -39.73 -55.26 1.95 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 73.6 m -163.98 176.77 9.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' 1446 ' ' GLN . 13.2 mt -65.36 -55.35 18.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' 1448 ' ' VAL . 65.4 tp -41.58 -45.27 3.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.97 -38.42 85.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' 1443 ' ' LEU . 30.7 mt-30 -64.38 -45.41 87.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.809 ' CB ' HD23 ' A' 1414 ' ' LEU . 16.8 p -61.09 -45.9 92.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' 1444 ' ' LEU . 94.6 t -56.44 -58.34 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -53.23 -39.1 63.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.412 HD13 ' HB2' ' A' 1422 ' ' ALA . 9.6 tp -57.25 -63.79 1.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' 1455 ' ' VAL . 55.3 mt -45.08 -49.01 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -52.17 -44.43 64.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . . . . . . . . . 49.8 tp -64.31 -55.1 23.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.591 ' CZ3' HD12 ' A' 1467 ' ' LEU . 53.0 t90 -49.66 -44.43 47.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' 1451 ' ' LEU . 86.6 t -61.54 -46.18 97.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 60.1 mt -65.36 -58.52 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -49.23 -47.35 46.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' 1462 ' ' ALA . 48.9 mm-40 -69.31 -44.53 71.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 70.88 -100.37 0.84 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.457 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -84.88 -51.86 6.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.826 0.346 . . . . 0.0 110.929 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -43.55 -39.12 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.447 ' HB2' ' HB2' ' A' 1458 ' ' GLU . . . -37.91 117.45 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' 1465 ' ' GLU . 36.5 t-20 -136.77 141.41 42.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.582 ' HG3' ' CE2' ' A' 1468 ' ' TYR . 4.0 tpt -53.68 -42.64 68.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . 0.452 ' HG2' ' ND2' ' A' 1463 ' ' ASN . 4.3 pt-20 -58.1 -37.87 75.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -65.09 -44.46 88.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.768 ' CD2' HD11 ' A' 1471 ' ' LEU . 5.6 tt -59.9 -48.76 80.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.634 ' HA ' HD12 ' A' 1471 ' ' LEU . 24.0 m-85 -57.53 -41.66 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 51.6 m -57.46 -52.57 64.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.161 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -58.31 -33.7 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.813 HD23 HD23 ' A' 1421 ' ' LEU . 41.3 mt -68.65 -46.87 68.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -66.54 -33.3 75.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 2.5 m -59.15 -33.57 71.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . 0.467 HD11 ' OG ' ' A' 1417 ' ' SER . 21.0 pt -94.1 20.59 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.144 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 54.4 m-20 63.38 38.79 9.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -128.22 42.82 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' 1480 ' ' VAL . . . -78.86 -33.08 38.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.497 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' 1477 ' ' GLY . 4.3 tp10 -37.6 -36.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.4 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.495 HG22 ' HD1' ' A' 1468 ' ' TYR . 30.4 t -58.02 -22.39 18.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -82.11 -44.56 16.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.599 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.8 ptm -65.4 -33.14 75.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.598 HD21 HG11 ' A' 1409 ' ' VAL . 14.2 mt -79.21 -45.25 20.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -95.04 114.61 26.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -152.64 145.34 12.8 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 58.6 m -107.45 -50.62 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.898 0.38 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . . . . . . . . . . . 123.24 63.75 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . . . . . . . . . 2.1 ptm85 -67.94 138.45 55.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.751 0.31 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 54.04 40.93 32.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 10.5 t -80.16 103.8 10.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -96.97 44.76 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . 0.417 ' OD1' ' C ' ' A' 1492 ' ' ASN . 2.0 p30 -145.43 168.28 20.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . . . . . . . . . 21.4 mt -112.06 122.65 48.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . 0.419 ' HD2' ' C ' ' A' 1494 ' ' LYS . 2.4 pptp? -38.78 142.47 0.52 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.573 0.701 . . . . 0.0 110.92 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 131.97 22.34 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -73.33 131.99 42.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1387 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1388 ' ' SER . . . . . . . . . . . . . 27.5 t -135.25 126.99 29.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1389 ' ' SER . . . . . . . . . . . . . 44.8 t -152.33 128.9 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1390 ' ' GLY . . . . . . . . . . . . . . . 149.04 -47.87 0.62 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1391 ' ' SER . . . . . . . . . . . . . 15.6 m -154.58 106.28 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.875 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1392 ' ' SER . . . . . . . . . . . . . 26.3 t -123.15 -51.49 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1393 ' ' GLY . . . . . . . . . . . . . . . 50.61 -159.1 1.74 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1394 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -43.89 2.43 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.714 2.276 . . . . 0.0 112.373 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1395 ' ' GLY . . . . . . . . . . . . . . . 109.93 79.62 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1396 ' ' SER . . . . . . . . . . . . . 60.2 p -127.03 137.38 53.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.938 0.399 . . . . 0.0 110.828 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1397 ' ' LEU . . . . . 0.601 ' C ' HD23 ' A' 1397 ' ' LEU . 6.5 tt -146.63 145.54 30.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1398 ' ' SER . . . . . 0.56 ' N ' HD23 ' A' 1397 ' ' LEU . 34.8 p -158.43 152.35 23.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1399 ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' 1398 ' ' SER . . . -37.55 106.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.456 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1400 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1403 ' ' ALA . 8.8 t -122.9 168.48 12.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.768 0.318 . . . . 0.0 111.077 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1401 ' ' GLU . . . . . 0.419 ' HG2' ' NE2' ' A' 1402 ' ' GLN . 7.1 pm0 -46.99 -35.71 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1402 ' ' GLN . . . . . 0.419 ' NE2' ' HG2' ' A' 1401 ' ' GLU . 19.6 mp0 -72.32 -51.39 20.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1403 ' ' ALA . . . . . 0.446 ' H ' HG23 ' A' 1400 ' ' THR . . . -42.7 -56.74 3.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.071 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1404 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -42.57 -51.9 4.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1405 ' ' MET . . . . . . . . . . . . . 9.5 ttp -59.39 -66.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1406 ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' 1407 ' ' MET . 0.7 OUTLIER -40.28 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1407 ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' 1406 ' ' LYS . 24.6 mtp -37.32 -63.86 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1408 ' ' ALA . . . . . . . . . . . . . . . -45.98 -49.56 15.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1409 ' ' VAL . . . . . 0.842 HG11 HD21 ' A' 1483 ' ' LEU . 86.4 t -58.83 -60.58 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1410 ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' 1409 ' ' VAL . 40.1 mt -37.67 -49.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1411 ' ' SER . . . . . . . . . . . . . 4.9 p -60.39 -49.19 78.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1412 ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -47.26 -52.01 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1413 ' ' HIS . . . . . 0.586 ' CE1' ' CG1' ' A' 1409 ' ' VAL . 4.4 m170 -73.0 -35.65 66.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1414 ' ' LEU . . . . . 0.694 HD21 ' HA ' ' A' 1418 ' ' TRP . 15.3 tp -50.05 -69.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1415 ' ' GLY . . . . . . . . . . . . . . . 56.79 -89.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.525 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1416 ' ' LEU . . . . . 0.503 ' CD2' ' C ' ' A' 1416 ' ' LEU . 0.0 OUTLIER -89.86 -51.88 5.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 110.921 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1417 ' ' SER . . . . . 0.466 ' OG ' HD12 ' A' 1414 ' ' LEU . 0.7 OUTLIER -39.65 -25.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1418 ' ' TRP . . . . . 0.694 ' HA ' HD21 ' A' 1414 ' ' LEU . 5.2 p-90 -37.82 -43.17 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.936 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1419 ' ' ALA . . . . . 0.478 ' N ' ' CG ' ' A' 1418 ' ' TRP . . . -58.02 -64.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1420 ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -41.94 -51.46 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1421 ' ' LEU . . . . . 0.454 HD13 HD23 ' A' 1471 ' ' LEU . 28.5 tp -53.54 -47.08 70.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1422 ' ' ALA . . . . . . . . . . . . . . . -52.07 -54.16 33.57 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1423 ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -55.86 -34.66 65.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1424 ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -64.07 -35.09 79.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1425 ' ' LEU . . . . . 0.438 ' CD1' ' CD1' ' A' 1454 ' ' TRP . 4.6 mm? -81.02 13.1 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1426 ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 63.96 34.18 11.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1427 ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' A' 1425 ' ' LEU . 16.8 m-85 -82.24 114.22 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1428 ' ' SER . . . . . . . . . . . . . 69.9 m -64.15 160.8 17.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1429 ' ' VAL . . . . . . . . . . . . . 53.4 t -51.32 -38.89 20.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1430 ' ' GLU . . . . . 0.479 ' HA ' ' ND2' ' A' 1433 ' ' ASN . 9.1 mm-40 -46.31 -54.58 8.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1431 ' ' ASP . . . . . 0.553 ' OD2' HD21 ' A' 1453 ' ' LEU . 3.0 t70 -65.94 -52.85 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1432 ' ' ILE . . . . . . . . . . . . . 80.3 mt -52.77 -67.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1433 ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' 1434 ' ' ARG . 0.7 OUTLIER -44.75 -46.68 10.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1434 ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' 1433 ' ' ASN . 19.0 ttm-85 -50.98 -55.2 18.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1435 ' ' ILE . . . . . 0.453 HG22 ' HG2' ' A' 1446 ' ' GLN . 21.8 mt -53.05 -39.59 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1436 ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -66.75 -32.94 74.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1437 ' ' VAL . . . . . 0.499 HG12 ' O ' ' A' 1437 ' ' VAL . 69.9 t -87.73 -10.14 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1438 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -100.49 -33.49 10.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1439 ' ' ASN . . . . . 0.573 ' N ' ' CD ' ' A' 1440 ' ' PRO . 1.2 m-80 -124.92 46.33 1.62 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.652 0.739 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1440 ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' 1439 ' ' ASN . 53.4 Cg_endo -69.82 -8.57 23.93 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.699 2.266 . . . . 0.0 112.335 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1441 ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -62.4 -52.59 62.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1442 ' ' SER . . . . . . . . . . . . . 75.0 m -146.1 175.69 10.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1443 ' ' LEU . . . . . . . . . . . . . 17.3 mt -83.96 -42.61 16.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1444 ' ' LEU . . . . . . . . . . . . . 58.8 tp -48.07 -42.9 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1445 ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.23 -38.83 90.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1446 ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' 1435 ' ' ILE . 32.0 mt-30 -61.46 -42.81 99.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1447 ' ' SER . . . . . 0.619 ' CB ' HD23 ' A' 1414 ' ' LEU . 75.1 m -64.32 -48.88 73.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1448 ' ' VAL . . . . . . . . . . . . . 98.0 t -54.6 -63.42 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1449 ' ' ALA . . . . . . . . . . . . . . . -47.31 -45.51 24.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.075 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1450 ' ' LEU . . . . . 0.512 HD22 ' HE3' ' A' 1418 ' ' TRP . 15.4 tp -52.66 -60.86 2.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.962 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1451 ' ' LEU . . . . . 0.473 ' O ' HG23 ' A' 1455 ' ' VAL . 42.2 mt -47.47 -49.06 26.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1452 ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -49.01 -51.93 28.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1453 ' ' LEU . . . . . 0.553 HD21 ' OD2' ' A' 1431 ' ' ASP . 59.7 tp -57.32 -58.08 9.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1454 ' ' TRP . . . . . 0.6 ' CZ3' HD12 ' A' 1467 ' ' LEU . 63.7 t90 -43.59 -40.2 3.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' 1451 ' ' LEU . 88.1 t -65.94 -47.44 85.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1456 ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.32 -51.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1457 ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -54.23 -51.2 65.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1458 ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -64.7 -43.62 92.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.868 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 75.85 -109.04 2.68 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1460 ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -82.19 -42.53 18.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.945 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1461 ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' 1462 ' ' ALA . 9.5 m-20 -52.13 -32.22 34.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1462 ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' 1461 ' ' ASN . . . -37.5 99.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.153 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1463 ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' 1464 ' ' MET . 25.6 t-20 -120.76 119.79 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.827 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1464 ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' 1463 ' ' ASN . 5.0 tpt -35.3 -50.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.868 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1465 ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.43 -52.77 12.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1466 ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -51.27 -41.49 60.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1467 ' ' LEU . . . . . 0.6 HD12 ' CZ3' ' A' 1454 ' ' TRP . 5.6 tt -61.46 -52.13 65.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1468 ' ' TYR . . . . . 0.568 ' CD1' HG22 ' A' 1480 ' ' VAL . 21.9 m-85 -54.67 -42.14 71.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.957 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1469 ' ' THR . . . . . . . . . . . . . 89.4 m -58.96 -47.04 86.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1470 ' ' ALA . . . . . . . . . . . . . . . -62.94 -33.33 75.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.571 HD11 ' CD2' ' A' 1467 ' ' LEU . 61.2 mt -67.4 -53.71 26.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1472 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -54.79 -34.27 62.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1473 ' ' SER . . . . . . . . . . . . . 13.5 t -57.32 -38.84 74.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1474 ' ' ILE . . . . . . . . . . . . . 28.3 pt -92.89 25.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 5.5 t0 60.31 36.7 20.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1476 ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -120.38 43.82 2.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1477 ' ' GLY . . . . . . . . . . . . . . . -81.51 -30.01 37.98 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1478 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -39.69 -37.82 0.56 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 0.0 110.909 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1479 ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.47 -51.3 73.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1480 ' ' VAL . . . . . 0.568 HG22 ' CD1' ' A' 1468 ' ' TYR . 14.5 t -58.62 -28.3 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.155 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1481 ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -74.09 -50.55 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1482 ' ' MET . . . . . 0.582 ' SD ' ' CE1' ' A' 1413 ' ' HIS . 5.0 ptm -70.07 -27.76 64.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1483 ' ' LEU . . . . . 0.842 HD21 HG11 ' A' 1409 ' ' VAL . 9.3 mt -81.91 -57.56 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1484 ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -104.99 91.8 3.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1485 ' ' GLY . . . . . . . . . . . . . . . -115.36 94.67 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.474 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1486 ' ' SER . . . . . . . . . . . . . 17.2 t -108.41 117.49 34.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1487 ' ' GLY . . . . . 0.457 ' O ' ' C ' ' A' 1488 ' ' ARG . . . -75.61 97.45 1.09 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1488 ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' 1487 ' ' GLY . 0.3 OUTLIER -33.01 126.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.869 -179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1489 ' ' GLN . . . . . . . . . . . . . 6.8 pm0 -119.36 144.95 46.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1490 ' ' SER . . . . . . . . . . . . . 51.1 m -87.92 109.5 19.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1491 ' ' ARG . . . . . 0.429 ' NH1' ' HB3' ' A' 1491 ' ' ARG . 8.0 mtp-105 -85.78 108.72 18.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1492 ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -83.17 130.71 35.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1493 ' ' LEU . . . . . 0.587 ' O ' HD12 ' A' 1493 ' ' LEU . 2.1 pp -131.16 54.55 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.64 81.8 7.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.575 0.702 . . . . 0.0 110.864 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1495 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -4.64 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1496 ' ' ASP . . . . . . . . . . . . . 17.9 m-20 47.59 51.4 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1497 ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 -179.903 . . . . . . . . 0 0 . 1 stop_ save_