data_6mwm_residue ############################ # Computer software used # ############################ 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 6mwm _Structure_validation_residue.Date_analyzed 2019-09-06 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 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.916 0.389 . . . . 74.34 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 75.22 111.109 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.3 112.358 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 75.53 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.25 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.4 111.138 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.164 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.109 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 65.33 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.918 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 53.53 110.909 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.146 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.882 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.834 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.183 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.43 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 73.21 111.142 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.432 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.22 110.863 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1502 ' ' ASP . . . . . 0.432 ' N ' HD21 ' A' 1501 ' ' ASN . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.134 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.34 111.143 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 72.35 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 72.13 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.22 111.086 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.843 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.089 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.44 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 75.21 110.958 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.11 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 72.13 110.871 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.44 111.106 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 74.15 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 74.35 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.54 110.892 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 72.51 110.935 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 65.14 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.42 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.161 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.4 111.102 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.55 110.88 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 75.44 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 16.8 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.91 0.386 . . . . 71.52 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 75.31 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.53 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.2 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 75.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.22 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 72.52 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 75.34 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 75.31 110.893 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.88 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 70.32 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 55.21 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.126 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.1 111.119 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.118 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' 1501 ' ' ASN . 2.2 m-80 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.35 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.34 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 71.42 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.88 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.181 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1445 ' ' GLN . . . . . 0.412 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.4 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.36 . . . . 74.34 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 73.42 111.148 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 64.11 112.354 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 73.23 111.128 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1453 ' ' ASN . . . . . 0.412 ' ND2' HE22 ' A' 1445 ' ' GLN . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.892 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.892 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.118 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 55.33 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.54 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1487 ' ' GLN . . . . . 0.433 ' N ' HE21 ' A' 1487 ' ' GLN . 0.0 OUTLIER -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 74.43 111.063 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 74.2 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 65.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 74.13 110.951 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 63.32 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.885 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.52 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.895 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.42 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1445 ' ' GLN . . . . . 0.413 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.6 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.854 0.359 . . . . 73.02 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 75.4 111.156 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 72.13 112.303 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1453 ' ' ASN . . . . . 0.413 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 74.22 110.905 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.34 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.137 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 73.31 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.02 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.11 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 74.35 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 71.24 110.906 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 71.11 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 74.43 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.138 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.13 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 64.01 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.851 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.3 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 71.4 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 74.04 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 75.52 112.389 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.55 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.54 111.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 74.11 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 75.21 110.929 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 64.23 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.41 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.32 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.12 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 71.13 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.6 p30 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 64.41 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.905 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 74.32 111.132 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.2 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.864 0.364 . . . . 73.21 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 71.12 112.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 72.02 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.35 111.174 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.074 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.02 111.097 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 61.3 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 74.25 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 70.41 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 75.23 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.12 111.13 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.927 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.1 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 63.35 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.34 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.92 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.853 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 71.42 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 70.14 111.13 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1499 ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.2 m-80 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1503 ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' 1499 ' ' VAL . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.105 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.137 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.12 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.877 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 72.41 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 64.31 112.338 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 63.43 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 71.21 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1464 ' ' TRP . . . . . 0.438 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.921 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.149 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 73.2 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.945 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 71.31 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1484 ' ' TRP . . . . . 0.438 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1489 ' ' ILE . . . . . 0.4 HG12 ' CE3' ' A' 1464 ' ' TRP . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 64.45 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.03 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 74.01 110.902 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.5 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.14 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 64.11 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 p30 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.23 110.887 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.876 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 65.12 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.873 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.894 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.52 110.889 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.411 ' HA ' ' NE1' ' A' 1464 ' ' TRP . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.919 0.39 . . . . 71.12 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.42 112.335 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.102 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.54 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.34 110.896 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.866 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.32 111.089 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 54.24 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.05 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.32 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 75.52 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.889 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1484 ' ' TRP . . . . . 0.423 ' O ' ' CG ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 75.13 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.35 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 72.43 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 70.4 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.23 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1500 ' ' LYS . . . . . 0.406 ' HB2' ' H ' ' A' 1501 ' ' ASN . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.406 ' H ' ' HB2' ' A' 1500 ' ' LYS . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.881 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.04 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 74.11 110.925 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 75.35 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.44 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.853 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.362 . . . . 72.52 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 63.12 111.187 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.14 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.105 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.153 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 72.42 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.52 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.09 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 72.44 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 72.05 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.43 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.895 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 73.33 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 71.15 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.44 111.117 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.42 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.885 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1499 ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 62.03 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1503 ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' 1499 ' ' VAL . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 74.01 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 71.04 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 71.02 110.901 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 64.13 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 62.43 111.132 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.22 111.135 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 75.2 111.101 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.05 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 65.51 111.126 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 72.45 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 75.02 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 54.22 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 74.03 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 70.25 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 70.13 111.173 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.3 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.33 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.921 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.895 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.092 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.53 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.847 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.3 110.889 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1499 ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' 1501 ' ' ASN . 0.8 OUTLIER -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1503 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1499 ' ' VAL . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.54 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.105 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 74.21 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 74.25 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.53 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.89 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.11 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 75.24 111.095 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1445 ' ' GLN . . . . . 0.518 HE22 ' ND2' ' A' 1453 ' ' ASN . 2.0 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.91 0.386 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 74.13 112.346 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.129 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.141 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1453 ' ' ASN . . . . . 0.518 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.844 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.24 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.135 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 71.14 112.497 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.32 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.158 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 73.41 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.43 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.139 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.879 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.917 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.45 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.31 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.132 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.15 111.123 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 71.41 111.083 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.22 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 72.1 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.52 112.388 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 54.03 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1445 ' ' GLN . . . . . 0.408 HE22 ' ND2' ' A' 1453 ' ' ASN . 17.1 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 74.43 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 74.0 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 71.04 112.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1453 ' ' ASN . . . . . 0.408 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.86 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.12 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 64.12 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.464 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.967 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.118 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.52 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.23 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.934 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.889 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.802 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.158 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1499 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 72.14 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1503 ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.42 111.052 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 65.15 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.23 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1445 ' ' GLN . . . . . 0.435 HE22 ' ND2' ' A' 1453 ' ' ASN . 6.2 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.906 0.384 . . . . 73.35 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 75.02 111.125 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1453 ' ' ASN . . . . . 0.435 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.5 m-80 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.119 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.126 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 72.01 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 75.5 112.469 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 72.51 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.949 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.32 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.891 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.12 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.24 111.135 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 110.912 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.921 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 74.21 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 64.5 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1491 ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1492 ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1494 ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1495 ' ' LYS . . . . . 0.436 ' HG2' ' HB1' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1496 ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 63.15 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.32 111.084 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 75.24 110.917 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 74.34 112.371 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.944 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 62.21 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.895 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.15 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 72.24 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 71.25 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 73.3 111.175 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.44 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.099 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 70.15 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 71.22 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1473 ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.15 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1478 ' ' TYR . . . . . 0.436 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 55.31 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 74.22 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.093 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.117 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 65.14 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.11 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.164 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.464 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1502 ' ' ASP . . . . . 0.464 ' N ' HD21 ' A' 1501 ' ' ASN . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 71.12 110.914 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.51 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.925 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.15 111.141 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 73.03 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 62.11 112.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.54 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.51 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 64.34 111.127 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 71.33 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 75.12 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1473 ' ' VAL . . . . . 0.424 HG11 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 73.31 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.43 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1478 ' ' TYR . . . . . 0.424 ' HE2' HG11 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 61.01 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 72.14 110.906 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.32 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.134 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.55 110.895 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.8 m-80 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 63.02 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 75.24 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.157 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.917 0.389 . . . . 72.43 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.44 111.136 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 72.15 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 70.14 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.108 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 72.2 111.18 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 54.31 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 74.24 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.15 112.516 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.126 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 75.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 72.14 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 65.5 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 62.12 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.876 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.913 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.873 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.55 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 73.11 110.885 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.885 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' 1501 ' ' ASN . 2.0 m-80 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.31 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 62.45 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 74.33 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.22 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.929 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 74.2 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 73.05 111.16 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 75.45 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.875 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 64.01 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 71.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 52.53 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 73.3 111.174 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1498 ' ' VAL . . . . . 0.411 ' HB ' ' CZ ' ' A' 1496 ' ' PHE . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.53 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.8 m-80 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 75.1 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 75.23 110.935 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1507 ' ' PHE . . . . . 0.406 ' CD2' ' CB ' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 74.31 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1512 ' ' ALA . . . . . 0.406 ' CB ' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.897 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.14 110.912 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.166 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.912 0.387 . . . . 75.44 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1451 ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1452 ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' 1451 ' ' PHE . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 62.34 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 73.14 110.989 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.04 110.939 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.53 110.927 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.076 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.25 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.905 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 62.12 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 71.34 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.902 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1501 ' ' ASN . . . . . 0.458 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.897 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1502 ' ' ASP . . . . . 0.458 ' N ' HD21 ' A' 1501 ' ' ASN . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 45.03 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 72.34 110.93 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1513 ' ' CYS . . . . . 0.432 ' O ' HD21 ' A' 1517 ' ' LEU . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.891 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' 1513 ' ' CYS . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.16 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.856 0.36 . . . . 74.54 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 75.41 111.166 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 71.34 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.093 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 71.41 111.137 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 70.2 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1456 ' ' THR . . . . . . . . . . . . . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.13 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 70.14 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1461 ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 73.43 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.885 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1464 ' ' TRP . . . . . 0.404 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 75.22 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.11 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.41 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.864 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1484 ' ' TRP . . . . . 0.409 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 73.42 110.927 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.24 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.43 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.922 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.2 p30 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 75.43 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.45 110.874 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.838 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.917 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1517 ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' 1517 ' ' LEU . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.908 0.385 . . . . 74.24 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -110.61 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.45 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.22 110.02 13.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.15 151.9 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 74.34 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 75.22 111.109 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.3 112.358 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 75.53 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.41 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.25 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 75.4 111.138 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 74.34 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.164 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 74.12 111.109 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 72.23 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 65.33 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 73.11 110.918 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 73.22 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 53.53 110.909 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 75.35 111.146 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 73.53 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 75.53 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 62.21 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 72.53 110.882 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 75.14 110.834 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.34 111.183 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 75.24 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.43 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 73.21 111.142 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.432 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 64.22 110.863 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1502 ' ' ASP . . . . . 0.432 ' N ' HD21 ' A' 1501 ' ' ASN . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 111.134 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 71.34 111.143 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 72.35 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.879 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.14 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.25 12.27 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.42 15.91 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 75.32 110.869 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -83.59 -29.9 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 72.22 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.0 154.5 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 73.32 111.106 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.107 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 75.3 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 60.73 50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.861 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.75 104.57 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 75.5 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -87.58 -172.94 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.909 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 73.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 72.22 111.086 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 72.34 110.843 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.089 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 74.43 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.44 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 75.21 110.958 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 72.11 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 72.13 110.871 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 71.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 72.44 111.106 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 74.15 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 74.35 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.45 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.54 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 74.54 110.892 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 72.51 110.935 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 71.12 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 65.14 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.42 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.21 111.161 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 75.33 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.53 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 72.44 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.42 110.877 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.4 111.102 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 73.43 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 75.22 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 72.25 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 73.23 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 72.45 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 63.12 110.86 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 72.55 110.88 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 75.44 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.74 5.46 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.1 5.49 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 74.04 110.856 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -27.99 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -178.38 140.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 72.51 111.113 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 75.13 111.148 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.92 0.391 . . . . 70.24 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -98.3 44.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 75.24 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -134.41 30.48 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 75.35 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -85.86 171.39 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.52 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 75.31 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 73.51 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 73.51 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 73.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 71.4 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.53 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 75.2 110.899 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 73.21 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 75.12 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 72.33 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 75.32 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.22 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 72.52 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 75.34 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 75.31 110.893 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 71.44 110.88 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 73.23 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.35 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 70.32 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 55.21 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.126 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.1 111.119 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 64.14 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 75.14 110.911 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 73.22 111.118 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.43 ' ND2' ' H ' ' A' 1501 ' ' ASN . 2.2 m-80 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.35 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 73.34 110.895 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 74.31 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 71.42 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.88 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 73.11 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.34 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m -116.71 1.12 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 73.14 111.181 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 6.7 t -117.68 -28.65 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.875 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -55.19 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 73.33 110.86 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -138.38 150.54 46.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.16 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.43 111.083 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 73.12 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -115.88 -47.38 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.864 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 ttt -100.02 122.51 43.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1445 ' ' GLN . . . . . 0.412 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.4 tt0 -88.55 159.25 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 74.34 110.966 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 73.42 111.148 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 64.11 112.354 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 64.44 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 73.23 111.128 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1453 ' ' ASN . . . . . 0.412 ' ND2' HE22 ' A' 1445 ' ' GLN . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 73.14 110.892 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 73.15 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.14 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 64.2 110.892 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 75.34 111.118 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 55.33 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 72.3 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 73.21 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 75.31 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 74.42 110.91 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 75.33 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 74.54 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1487 ' ' GLN . . . . . 0.433 ' N ' HE21 ' A' 1487 ' ' GLN . 0.0 OUTLIER -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 65.41 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 74.43 111.063 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.4 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.41 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.31 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.11 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 74.2 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 65.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 74.13 110.951 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 63.32 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.42 110.885 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 73.52 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.1 110.895 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 71.42 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.86 13.12 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.47 13.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.889 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.67 -24.99 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 71.5 110.909 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -131.67 170.83 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 72.42 111.104 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 72.23 111.104 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 75.32 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -141.01 28.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.889 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 39.4 ttp -142.9 95.11 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1445 ' ' GLN . . . . . 0.413 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.6 tt0 -82.2 158.58 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.944 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 75.4 111.156 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 72.13 112.303 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1453 ' ' ASN . . . . . 0.413 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 74.33 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 73.22 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 74.22 110.905 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 72.34 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.44 111.137 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 73.31 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 75.31 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 75.12 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 75.12 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 74.52 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 74.02 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 74.11 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 74.35 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 71.24 110.906 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 74.13 110.865 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 71.11 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 74.43 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 64.44 111.138 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.53 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 72.43 110.891 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 75.4 110.872 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 75.13 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 64.01 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 71.35 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 72.42 110.925 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.851 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.3 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 71.3 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.14 12.36 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 20.15 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 54.24 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.05 -22.09 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.51 110.891 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -105.78 130.85 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.25 111.07 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 65.55 111.117 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 71.54 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 59.32 58.95 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 73.34 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.7 ttm -172.66 72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.23 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.92 163.76 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 71.4 110.914 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 74.04 111.149 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 75.52 112.389 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.55 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 73.54 111.168 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 73.23 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 72.54 111.161 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.21 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 75.32 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.33 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 74.11 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 75.21 110.929 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 72.51 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 73.21 110.905 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 64.23 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 71.44 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 73.41 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 75.41 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.32 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 73.0 110.93 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.12 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 71.13 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 74.4 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.34 110.883 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 74.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.6 p30 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.41 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 64.41 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 71.23 110.905 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 74.32 111.132 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.33 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.23 8.01 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.2 111.144 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.68 15.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.842 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -70.07 -23.93 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.885 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1521 ' ' ALA . . . . . 0.429 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -111.44 152.36 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.097 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 72.33 111.099 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 75.22 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -128.63 29.14 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 5.9 ttm -159.96 88.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.76 -175.04 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 73.21 110.925 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 71.12 112.306 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 72.02 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 73.35 111.174 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 72.24 111.074 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 72.02 111.097 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 73.43 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 61.3 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 74.25 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 70.41 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 75.23 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 75.23 110.881 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.934 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.12 111.13 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 71.11 110.927 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 73.24 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 75.14 111.1 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 75.54 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 74.34 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 63.35 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 74.15 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.34 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 74.44 110.879 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.3 110.92 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.853 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 71.42 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 72.44 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 70.14 111.13 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 74.5 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.3 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1499 ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.439 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.2 m-80 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 71.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1503 ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' 1499 ' ' VAL . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.105 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.896 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 75.22 111.137 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 73.12 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 75.02 110.877 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 74.02 110.888 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m -117.58 -0.7 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 3.21 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.82 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -77.91 -33.09 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.878 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -114.52 129.15 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 74.04 111.128 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 54.31 111.123 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.889 0.376 . . . . 50.11 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -103.77 89.78 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 72.29 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.41 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -118.34 166.53 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 64.31 112.338 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 75.52 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 63.43 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 73.14 111.148 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 74.32 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 71.21 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 75.44 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.14 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1464 ' ' TRP . . . . . 0.438 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 73.21 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 74.33 110.921 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.149 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 73.2 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 75.12 110.945 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.53 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 71.4 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 71.31 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 75.42 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 73.12 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1484 ' ' TRP . . . . . 0.475 ' CZ3' ' HD3' ' A' 1520 ' ' ARG . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1489 ' ' ILE . . . . . 0.4 HG12 ' CE3' ' A' 1464 ' ' TRP . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 73.32 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 64.45 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.4 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.03 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 72.24 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 74.01 110.902 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 75.5 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 74.14 111.14 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 64.11 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 73.4 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 p30 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.22 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.23 110.887 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 75.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 75.22 110.876 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 65.12 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 62.22 110.873 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.44 110.894 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.52 110.889 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.411 ' HA ' ' NE1' ' A' 1464 ' ' TRP . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.42 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -7.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.43 -11.29 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.33 110.882 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.475 ' HD3' ' CZ3' ' A' 1484 ' ' TRP . 0.0 OUTLIER -50.52 -25.68 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.15 110.862 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -133.67 100.05 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.52 111.086 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.092 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 52.41 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -130.97 -60.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.22 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 55.41 63.54 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 72.1 110.893 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.99 156.64 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.42 112.335 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 72.13 111.102 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 71.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.33 110.856 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 74.54 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 74.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 71.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 65.25 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.34 110.896 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.41 110.866 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 74.32 111.089 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 54.24 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.05 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 71.32 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 75.52 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 73.43 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 72.44 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 72.54 110.889 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1484 ' ' TRP . . . . . 0.423 ' O ' ' CG ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 74.13 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 74.54 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 75.13 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.22 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.21 111.122 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 75.01 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.35 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 74.34 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 72.43 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.13 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 70.4 111.124 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 71.23 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1500 ' ' LYS . . . . . 0.406 ' HB2' ' H ' ' A' 1501 ' ' ASN . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 75.2 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.406 ' H ' ' HB2' ' A' 1500 ' ' LYS . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 75.0 110.881 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.04 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 74.11 110.925 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 75.35 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 73.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 73.44 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.853 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 74.12 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m -105.77 -20.46 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 1.9 t -99.33 -35.03 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.917 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -51.96 -30.07 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 73.14 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -177.69 115.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 72.23 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 73.4 111.053 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 71.34 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -121.81 -49.4 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 tpt 72.31 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 73.52 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 44.05 -163.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.946 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 63.12 111.187 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 62.45 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 73.03 111.14 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 72.51 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 72.02 111.105 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 74.11 111.153 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 71.14 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 72.42 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 74.52 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 73.41 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 75.11 111.09 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 72.44 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 72.05 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 72.1 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 72.43 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 74.24 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 74.32 110.895 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 73.33 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 71.15 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.44 111.117 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 74.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 70.42 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 74.35 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.45 110.885 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1499 ' ' VAL . . . . . 0.426 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 62.03 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 75.03 110.895 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 74.44 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' 1499 ' ' VAL . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.24 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 72.34 111.119 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 74.01 110.902 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 71.04 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.911 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 71.02 110.901 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 72.34 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 74.13 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.79 11.03 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 18.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.879 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.65 -19.87 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 74.32 110.907 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -113.3 26.21 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 64.44 111.072 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 64.23 111.112 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.863 0.364 . . . . 64.22 110.799 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -136.59 46.09 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.818 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.22 37.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 75.2 110.867 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.71 165.66 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 64.13 110.907 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 62.43 111.132 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 74.34 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 63.22 111.135 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.52 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 75.2 111.101 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 73.04 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.05 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 65.51 111.126 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 72.45 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 75.02 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 54.22 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 74.03 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 70.25 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 75.45 110.916 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 70.13 111.173 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 71.3 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.33 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 73.33 110.921 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.899 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.895 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 74.41 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 74.03 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.14 111.092 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.53 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.847 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.3 110.889 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 72.3 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1499 ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.46 ' ND2' ' H ' ' A' 1501 ' ' ASN . 0.8 OUTLIER -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1503 ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' 1499 ' ' VAL . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 74.54 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.33 111.105 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 74.21 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 74.25 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 74.53 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 74.24 110.866 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 75.13 110.89 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.11 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 7.22 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 75.24 111.095 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.81 13.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 74.45 110.845 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -72.99 -33.0 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.889 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -128.16 161.04 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.12 111.091 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.064 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.892 0.377 . . . . 74.14 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.21 135.28 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.15 110.874 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 19.4 ttm 56.62 79.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.864 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1445 ' ' GLN . . . . . 0.518 HE22 ' ND2' ' A' 1453 ' ' ASN . 2.0 tt0 -51.71 132.76 31.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 74.13 112.346 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 71.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 72.31 111.129 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 73.24 111.141 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1453 ' ' ASN . . . . . 0.518 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 61.12 110.844 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 72.24 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.21 111.135 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 54.32 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 71.14 112.497 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.32 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 74.34 110.872 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 73.34 110.951 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 74.44 111.158 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 73.41 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 74.43 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.42 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.03 111.139 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.879 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.917 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.45 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.31 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 75.02 111.132 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 74.15 111.123 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 71.41 111.083 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 74.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 70.22 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 72.1 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.52 112.388 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 54.03 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 71.41 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 73.54 110.887 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 74.25 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 72.14 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 72.22 110.858 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 73.43 110.918 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 11.51 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.52 18.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.877 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -19.91 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.881 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -146.12 25.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.4 111.109 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 70.34 111.113 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 74.15 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -147.86 34.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.0 mtt 60.79 63.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1445 ' ' GLN . . . . . 0.408 HE22 ' ND2' ' A' 1453 ' ' ASN . 17.1 pt20 -91.16 -175.14 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 74.43 110.904 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 74.0 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 71.04 112.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.23 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1453 ' ' ASN . . . . . 0.408 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.86 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 73.41 111.12 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 64.12 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 53.22 112.464 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 74.42 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 75.43 110.967 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 75.2 111.118 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 74.22 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.52 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 75.23 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 63.43 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.934 179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 71.3 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 74.13 110.889 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.802 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 74.11 110.917 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.158 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1499 ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 72.14 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1503 ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.42 111.052 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 65.15 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 64.44 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 75.13 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 75.42 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 71.23 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.89 9.19 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.1 17.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.835 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -79.81 -31.66 40.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 74.01 110.885 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1521 ' ' ALA . . . . . 0.446 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -109.29 129.33 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 74.53 111.109 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 73.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.927 0.394 . . . . 73.15 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -94.33 107.41 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.812 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 59.9 mtt 55.09 76.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1445 ' ' GLN . . . . . 0.435 HE22 ' ND2' ' A' 1453 ' ' ASN . 6.2 tt0 -91.35 157.44 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.35 110.887 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 75.02 111.125 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 73.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 73.12 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 74.04 111.141 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1453 ' ' ASN . . . . . 0.435 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.5 m-80 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.929 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 73.14 111.119 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 72.34 111.126 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 72.01 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 75.5 112.469 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 72.51 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 74.33 110.949 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 73.42 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.21 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.32 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.891 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 73.12 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 75.24 111.135 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.02 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 75.14 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.05 110.912 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.34 110.891 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 71.21 110.921 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 74.21 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 64.5 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 72.42 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1491 ' ' TYR . . . . . 0.421 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1492 ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 72.53 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1494 ' ' ASN . . . . . 0.476 ' O ' ' CG ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1495 ' ' LYS . . . . . 0.436 ' HG2' ' HB1' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1496 ' ' PHE . . . . . 0.421 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 63.15 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 75.34 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 75.22 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 75.32 111.084 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 75.24 110.917 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 74.34 112.371 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.41 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 75.24 110.944 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 62.21 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 74.11 110.895 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 75.15 110.842 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 63.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m -111.48 -19.13 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.06 0.26 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -91.89 -25.96 18.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 75.35 110.885 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -178.59 156.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 71.34 111.091 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.35 111.139 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.358 . . . . 74.44 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -91.35 55.78 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.858 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.14 98.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.14 110.906 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -96.17 172.29 8.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 71.25 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 73.3 111.175 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 72.44 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 74.22 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 74.34 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 64.52 111.099 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 72.33 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 70.15 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 71.22 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1473 ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.24 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 74.15 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1478 ' ' TYR . . . . . 0.436 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.872 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.33 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 55.31 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.41 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 74.22 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 75.13 111.093 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 75.11 111.117 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 65.14 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 61.11 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.34 111.164 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.464 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1502 ' ' ASP . . . . . 0.464 ' N ' HD21 ' A' 1501 ' ' ASN . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 71.12 110.914 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.2 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.51 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 72.42 110.925 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 75.31 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 3.65 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 64.15 111.141 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 22.8 t -117.19 -24.03 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 61.41 110.9 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -42.61 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 71.54 110.901 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -174.88 152.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.117 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 73.12 111.139 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 74.13 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -107.07 -60.97 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.831 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.8 89.42 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -83.13 162.39 21.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.03 110.893 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 62.11 112.338 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 63.54 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 72.51 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.21 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 64.34 111.127 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 71.33 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.21 110.89 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 75.12 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1473 ' ' VAL . . . . . 0.424 HG11 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 73.31 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 73.43 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1478 ' ' TYR . . . . . 0.424 ' HE2' HG11 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 75.41 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 61.01 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 74.3 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 73.32 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.41 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 72.14 110.906 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.31 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 74.32 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 74.35 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 75.24 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.41 111.134 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.55 110.895 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.8 m-80 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 63.02 110.92 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.45 110.866 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 75.24 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.8 15.6 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.157 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.73 19.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 54.3 110.894 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -24.48 39.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 72.13 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -125.13 -172.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 62.33 111.118 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 62.51 111.081 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.378 . . . . 64.14 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 157.32 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 75.01 110.86 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.32 28.79 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.9 pt20 43.98 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 72.43 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.44 111.136 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 72.15 111.136 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 71.45 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 70.14 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.21 111.108 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 72.2 111.18 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 74.3 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 54.31 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 74.24 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.15 112.516 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 74.51 111.126 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 75.0 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 72.14 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.24 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 65.5 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 62.12 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 74.41 110.876 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.913 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.873 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.55 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 73.11 110.885 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.885 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.435 ' ND2' ' H ' ' A' 1501 ' ' ASN . 2.0 m-80 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 63.23 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.31 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 62.45 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 74.33 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 73.22 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.929 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 72.13 110.929 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.08 10.73 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 2.0 t -133.82 5.22 3.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 73.11 110.869 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -95.45 -26.92 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 74.54 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -178.44 160.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.42 111.128 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 74.14 111.085 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.891 0.376 . . . . 73.32 110.847 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.15 -39.8 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.19 78.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.886 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -80.32 174.87 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.933 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 73.05 111.16 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 75.45 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 72.4 110.875 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.908 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 64.01 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.34 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.25 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.23 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 71.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 52.53 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 73.3 111.174 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 72.54 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.55 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 74.23 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1498 ' ' VAL . . . . . 0.411 ' HB ' ' CZ ' ' A' 1496 ' ' PHE . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.53 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.427 ' ND2' ' H ' ' A' 1501 ' ' ASN . 1.8 m-80 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 75.1 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 75.23 110.935 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1507 ' ' PHE . . . . . 0.406 ' CD2' ' CB ' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.12 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 74.31 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1512 ' ' ALA . . . . . 0.406 ' CB ' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 71.21 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.897 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.14 110.912 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.3 m -132.8 9.48 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 75.23 111.166 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.13 -34.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -28.07 43.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -171.51 68.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.45 111.101 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.119 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 73.54 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -138.39 33.09 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.897 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.33 121.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.867 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -101.17 172.81 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1451 ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 71.53 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1452 ' ' ILE . . . . . 0.411 HG13 ' CZ ' ' A' 1451 ' ' PHE . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.12 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.43 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 62.34 111.133 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 73.14 110.989 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 70.43 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 73.04 110.939 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 63.53 110.927 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 72.14 111.076 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 71.13 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 72.25 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 74.53 110.905 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 62.12 110.924 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.34 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 71.34 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.902 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1501 ' ' ASN . . . . . 0.458 HD21 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 65.35 110.897 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1502 ' ' ASP . . . . . 0.458 ' N ' HD21 ' A' 1501 ' ' ASN . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 45.03 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 72.34 110.93 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 74.15 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.25 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' CYS . . . . . 0.432 ' O ' HD21 ' A' 1517 ' ' LEU . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.891 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 71.33 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.432 HD21 ' O ' ' A' 1513 ' ' CYS . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.18 19.42 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.51 111.16 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.83 -35.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 73.3 110.837 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -57.01 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 74.32 110.865 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.07 116.29 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 54.24 111.119 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.15 111.117 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.914 0.388 . . . . 74.12 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -118.48 166.41 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 75.53 110.849 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.17 -75.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 44.2 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.54 110.934 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 75.41 111.166 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 71.34 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 73.21 111.093 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1452 ' ' ILE . . . . . . . . . . . . . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 71.41 111.137 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.44 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 70.2 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1456 ' ' THR . . . . . . . . . . . . . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 73.13 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 72.43 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 70.14 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1461 ' ' TYR . . . . . 0.408 ' CE2' ' HG ' ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 73.43 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 64.25 110.885 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1464 ' ' TRP . . . . . 0.404 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 75.13 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1466 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1467 ' ' VAL . . . . . . . . . . . . . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 75.22 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 75.11 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 71.41 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 70.12 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.31 110.907 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.864 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1484 ' ' TRP . . . . . 0.409 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.21 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 73.42 110.927 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 74.24 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 75.24 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 70.43 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 74.13 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1496 ' ' PHE . . . . . . . . . . . . . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 75.33 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1498 ' ' VAL . . . . . . . . . . . . . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 63.35 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.52 110.922 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.2 p30 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 75.43 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.45 110.874 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 62.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 75.43 110.838 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.12 110.917 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1517 ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' 1517 ' ' LEU . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 72.35 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.93 -20.29 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 10.4 t -78.76 -33.22 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 74.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -51.9 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -162.64 155.21 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.45 111.097 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 73.42 111.074 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.916 0.389 . . . . 74.34 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 71.14 111.109 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.531 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.21 112.358 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 64.22 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 64.34 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.13 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.598 HD11 ' SG ' ' A' 1513 ' ' CYS . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 60.25 111.138 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' 1461 ' ' TYR . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.54 111.164 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1456 ' ' THR . . . . . 1.046 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 53.52 111.109 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 4.4 m120 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 70.21 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.615 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 64.01 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.4 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 65.41 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 61.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1466 ' ' LEU . . . . . 1.046 HD13 HG22 ' A' 1456 ' ' THR . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.44 110.909 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.691 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.146 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 63.54 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 62.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' 1467 ' ' VAL . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.456 HD23 HG21 ' A' 1452 ' ' ILE . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.882 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.691 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.834 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1487 ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' 1488 ' ' THR . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1488 ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' 1487 ' ' GLN . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.615 HG23 ' CE1' ' A' 1496 ' ' PHE . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 52.12 111.183 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 41.22 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1491 ' ' TYR . . . . . 0.413 ' HE1' HD13 ' A' 1481 ' ' LEU . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.642 ' HA ' HG21 ' A' 1446 ' ' THR . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.01 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.4 111.142 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' 1505 ' ' LEU . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 32.13 110.863 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' 1504 ' ' ALA . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.134 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' 1503 ' ' VAL . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 55.12 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' 1500 ' ' LYS . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 51.12 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 72.13 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.598 ' SG ' HD11 ' A' 1452 ' ' ILE . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.414 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1461 ' ' TYR . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 72.13 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.605 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.128 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' 1449 ' ' THR . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 54.21 110.843 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' 1461 ' ' TYR . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 54.32 111.089 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1456 ' ' THR . . . . . 1.008 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.545 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 73.24 110.958 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.13 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 41.44 110.871 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1466 ' ' LEU . . . . . 1.008 HD13 HG22 ' A' 1456 ' ' THR . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' 1480 ' ' LYS . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.106 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 72.01 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 62.33 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 64.1 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.722 ' O ' HG23 ' A' 1467 ' ' VAL . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.892 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.486 HD23 HG21 ' A' 1452 ' ' ILE . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 62.33 110.935 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.576 HD21 HG23 ' A' 1456 ' ' THR . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.878 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.665 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.1 t60 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.24 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 45.4 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 35.11 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.32 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1488 ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' 1483 ' ' HIS . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 64.3 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.579 HG23 ' HE2' ' A' 1496 ' ' PHE . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 65.42 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.579 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.877 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.44 111.102 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 53.43 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.883 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.45 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 41.44 110.86 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.515 ' HD2' HD23 ' A' 1510 ' ' LEU . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.88 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' 1461 ' ' TYR . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.91 0.386 . . . . 71.52 110.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 71.45 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m120 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 53.43 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.823 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.33 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.02 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.481 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.823 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' 1466 ' ' LEU . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.52 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 72.51 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.24 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 72.43 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' 1467 ' ' VAL . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 61.34 110.893 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.487 HD23 HG21 ' A' 1452 ' ' ILE . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.613 ' HB3' HG11 ' A' 1467 ' ' VAL . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 51.4 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 44.35 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.126 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' 1478 ' ' TYR . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 53.21 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 58.0 t30 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.911 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 63.13 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.04 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.32 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' 1500 ' ' LYS . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 72.44 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.565 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.493 ' SG ' HD11 ' A' 1452 ' ' ILE . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.565 ' NE ' HD23 ' A' 1510 ' ' LEU . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.88 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.5 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' 1461 ' ' TYR . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 52.14 110.931 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.181 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 25.9 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.36 . . . . 73.51 110.966 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 54.14 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 54.05 112.354 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.759 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 60.5 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' 1449 ' ' THR . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 54.41 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.33 110.892 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.794 HG22 HD23 ' A' 1466 ' ' LEU . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.14 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.42 ' CE2' HD23 ' A' 1517 ' ' LEU . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.794 HD23 HG22 ' A' 1456 ' ' THR . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.701 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.118 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 34.2 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 61.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' 1492 ' ' ALA . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 55.22 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' 1467 ' ' VAL . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 54.52 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.701 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 10.1 mp0 -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.12 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.564 HG23 ' HE2' ' A' 1496 ' ' PHE . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' 1478 ' ' TYR . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 64.11 111.063 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.646 ' HA ' HG21 ' A' 1446 ' ' THR . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.564 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 70.23 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 70.3 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.654 HD22 ' OH ' ' A' 1516 ' ' TYR . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 71.33 110.951 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 62.23 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.885 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.35 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.646 ' SG ' HD11 ' A' 1452 ' ' ILE . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.895 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 44.05 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.654 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' 1461 ' ' TYR . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.854 0.359 . . . . 73.02 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.777 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 70.44 111.156 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.32 112.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.31 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 73.52 110.905 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.137 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 42.22 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' 1467 ' ' VAL . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 65.5 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.704 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.865 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 64.15 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 53.25 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1488 ' ' THR . . . . . 0.4 HG23 ' ND1' ' A' 1483 ' ' HIS . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 44.53 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 52.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.777 ' HA ' HG21 ' A' 1446 ' ' THR . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 54.24 110.891 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE1' HG23 ' A' 1489 ' ' ILE . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.872 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 60.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 65.45 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.21 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 42.05 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.526 HD23 ' CD ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.925 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.526 ' CD ' HD23 ' A' 1510 ' ' LEU . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.851 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.02 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1461 ' ' TYR . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 64.32 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.558 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 60.44 111.149 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.585 ' O ' HD11 ' A' 1510 ' ' LEU . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.23 112.389 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.168 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 71.21 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 34.23 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 64.12 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.13 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 65.23 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 72.42 110.929 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.469 ' CE2' HD23 ' A' 1517 ' ' LEU . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 60.32 110.905 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 40.23 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 64.42 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 60.25 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' 1467 ' ' VAL . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.441 HD23 HG21 ' A' 1452 ' ' ILE . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.653 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 62.22 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.02 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 52.23 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.693 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 54.31 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.558 ' HA ' HG21 ' A' 1446 ' ' THR . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.883 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.693 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.4 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 63.24 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 32.33 111.132 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' 1452 ' ' ILE . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 34.1 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' 1461 ' ' TYR . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.1 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.864 0.364 . . . . 71.04 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.668 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 64.12 112.306 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 62.3 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.44 111.174 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' 1449 ' ' THR . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 61.52 111.097 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1460 ' ' GLY . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.831 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 31.34 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1460 ' ' GLY . . . . . 0.642 ' O ' HG12 ' A' 1455 ' ' VAL . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 72.43 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 62.44 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.734 ' CB ' HD22 ' A' 1482 ' ' LEU . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 73.24 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1465 ' ' HIS . . . . . 0.716 ' O ' HD23 ' A' 1482 ' ' LEU . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.831 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.934 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' 1480 ' ' LYS . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.13 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.431 ' HG ' HG23 ' A' 1473 ' ' VAL . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.44 110.927 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 61.34 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.431 HG23 ' HG ' ' A' 1471 ' ' LEU . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.1 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.23 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 53.24 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' 1467 ' ' VAL . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.879 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.734 HD22 ' CB ' ' A' 1464 ' ' TRP . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.54 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 51.24 110.853 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.21 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.03 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' 1496 ' ' PHE . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 60.45 111.13 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1493 ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' 1446 ' ' THR . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' 1446 ' ' THR . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.12 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.654 ' HE2' HG23 ' A' 1489 ' ' ILE . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1499 ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.676 ' HB2' HG12 ' A' 1503 ' ' VAL . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 m120 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 52.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' 1500 ' ' LYS . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 1503 ' ' VAL . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.105 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.561 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 54.55 110.896 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.137 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.665 ' SG ' HD11 ' A' 1452 ' ' ILE . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.21 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.614 ' NE ' HD23 ' A' 1510 ' ' LEU . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.14 110.877 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.561 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' 1489 ' ' ILE . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.888 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.2 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 71.2 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.591 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 62.13 112.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.635 HD11 ' SG ' ' A' 1513 ' ' CYS . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.11 111.148 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.759 HG22 HD23 ' A' 1466 ' ' LEU . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 65.13 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 41.43 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.566 ' CE2' HD23 ' A' 1517 ' ' LEU . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.759 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.921 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.66 ' N ' HD22 ' A' 1466 ' ' LEU . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.35 111.149 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 54.22 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.48 HD21 HG21 ' A' 1473 ' ' VAL . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.945 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.48 HG21 HD21 ' A' 1471 ' ' LEU . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 65.01 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 64.03 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 71.54 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.441 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 50.43 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.664 HG23 ' CE2' ' A' 1496 ' ' PHE . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.02 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 53.33 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.13 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.664 ' CE2' HG23 ' A' 1489 ' ' ILE . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 73.03 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 60.11 111.14 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 24.54 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 64.55 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.12 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 50.44 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 61.41 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.25 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.873 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.579 ' HD2' HD23 ' A' 1510 ' ' LEU . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.403 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.24 110.889 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' 1461 ' ' TYR . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.919 0.39 . . . . 55.31 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.14 112.335 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 70.41 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 52.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1451 ' ' PHE . . . . . 0.407 ' HE1' ' HH ' ' A' 1461 ' ' TYR . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.856 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.4 m120 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.865 HG22 HD23 ' A' 1466 ' ' LEU . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 61.33 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 61.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 41.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.407 ' HH ' ' HE1' ' A' 1451 ' ' PHE . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 50.2 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.489 ' CE2' HD23 ' A' 1517 ' ' LEU . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.3 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1465 ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' 1482 ' ' LEU . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.866 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.865 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.709 ' N ' HD22 ' A' 1466 ' ' LEU . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 54.3 111.089 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 41.22 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.33 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 62.25 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 54.33 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 62.52 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.55 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' 1467 ' ' VAL . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 44.23 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' 1465 ' ' HIS . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 62.02 110.889 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.572 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.5 p-80 -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.423 ' CG ' ' O ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 62.41 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 71.11 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.638 HG23 ' HE2' ' A' 1496 ' ' PHE . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 45.3 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' 1489 ' ' ILE . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.12 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' 1498 ' ' VAL . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.124 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.464 ' HD3' HD12 ' A' 1505 ' ' LEU . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 43.34 110.881 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 61.13 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.464 HD12 ' HD3' ' A' 1500 ' ' LYS . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 54.1 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 64.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.623 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 41.42 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' 1452 ' ' ILE . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.623 ' HD3' HD23 ' A' 1510 ' ' LEU . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 64.14 110.853 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 65.5 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' 1464 ' ' TRP . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.362 . . . . 72.52 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.44 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 60.1 111.187 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' 1510 ' ' LEU . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.32 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.577 ' HA ' HD12 ' A' 1452 ' ' ILE . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 43.43 111.14 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.64 HD11 ' SG ' ' A' 1513 ' ' CYS . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m120 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' 1461 ' ' TYR . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 51.04 111.105 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1456 ' ' THR . . . . . 1.042 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.2 111.153 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 70.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 64.11 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.612 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.41 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1466 ' ' LEU . . . . . 1.042 HD13 HG22 ' A' 1456 ' ' THR . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' 1483 ' ' HIS . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.13 111.09 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 60.05 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 71.24 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 54.34 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.5 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' 1467 ' ' VAL . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.895 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.649 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 54.15 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 62.34 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.2 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 61.41 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 63.42 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1499 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 44.23 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.699 ' HB2' HG12 ' A' 1503 ' ' VAL . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 65.24 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.699 HG12 ' HB2' ' A' 1500 ' ' LYS . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' 1503 ' ' VAL . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 51.24 111.119 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.537 ' HB2' HG13 ' A' 1498 ' ' VAL . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 62.43 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 70.03 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1512 ' ' ALA . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.24 110.911 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' 1452 ' ' ILE . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 64.13 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 54.25 111.132 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' 1510 ' ' LEU . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 51.12 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 62.23 111.135 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.654 HD11 ' SG ' ' A' 1513 ' ' CYS . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.53 111.101 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.05 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 72.03 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.94 HG22 HD23 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.54 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 51.13 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 43.25 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1465 ' ' HIS . . . . . 0.629 ' O ' HD23 ' A' 1482 ' ' LEU . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.94 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' 1480 ' ' LYS . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 62.15 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' 1473 ' ' VAL . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 53.4 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1472 ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' 1472 ' ' ILE . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 63.33 111.173 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.579 HG23 ' HG ' ' A' 1471 ' ' LEU . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.31 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.02 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' 1467 ' ' VAL . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.921 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' 1465 ' ' HIS . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.519 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 72.15 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 22.1 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.506 ' CD1' HD21 ' A' 1517 ' ' LEU . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.092 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1490 ' ' CYS . . . . . 0.53 ' SG ' HD22 ' A' 1471 ' ' LEU . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' 1495 ' ' LYS . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1446 ' ' THR . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1495 ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1492 ' ' ALA . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.473 ' HE1' HG23 ' A' 1489 ' ' ILE . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.889 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.23 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1499 ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' 1503 ' ' VAL . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' 1504 ' ' ALA . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' 1503 ' ' VAL . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.14 111.105 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 55.32 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 64.41 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' 1512 ' ' ALA . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.602 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' 1452 ' ' ILE . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.866 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.602 ' HD3' HD23 ' A' 1510 ' ' LEU . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.89 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.25 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' 1489 ' ' ILE . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.095 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1445 ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' 1450 ' ' ALA . 2.6 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.91 0.386 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' 1494 ' ' ASN . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.607 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 51.32 112.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.545 ' HA ' HD12 ' A' 1452 ' ' ILE . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.129 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1450 ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' 1445 ' ' GLN . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' 1449 ' ' THR . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.141 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 41.43 110.844 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.22 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.757 HG22 HD23 ' A' 1466 ' ' LEU . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.135 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 43.34 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1460 ' ' GLY . . . . . 0.494 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 50.14 112.497 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1465 ' ' HIS . . . . . 0.414 ' O ' HD23 ' A' 1482 ' ' LEU . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.872 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.757 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.951 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.757 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 53.44 111.158 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 64.51 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 52.34 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.432 HD21 HG21 ' A' 1473 ' ' VAL . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.432 HG21 HD21 ' A' 1471 ' ' LEU . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.42 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.879 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.421 ' CD2' HG21 ' A' 1452 ' ' ILE . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.494 HD21 ' HA2' ' A' 1460 ' ' GLY . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.917 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.757 ' HB2' HG21 ' A' 1467 ' ' VAL . 9.0 t60 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.44 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 51.13 111.132 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.658 HG23 ' CE2' ' A' 1496 ' ' PHE . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.806 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 61.42 111.083 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1495 ' ' LYS . . . . . 0.806 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.658 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 31.14 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 63.41 110.879 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1506 ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.2 112.388 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 34.2 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.741 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 64.35 110.887 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 34.55 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 71.15 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.741 ' HD3' HD23 ' A' 1510 ' ' LEU . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 61.13 110.918 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 73.53 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 50.05 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.661 ' O ' HD11 ' A' 1510 ' ' LEU . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 63.32 112.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.782 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' 1449 ' ' THR . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.86 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.783 HG23 HD23 ' A' 1466 ' ' LEU . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.12 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.11 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 33.44 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1460 ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 40.53 112.464 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.473 ' HB3' HD22 ' A' 1482 ' ' LEU . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.783 HD23 HG23 ' A' 1456 ' ' THR . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 60.33 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' 1483 ' ' HIS . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.118 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.52 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' 1490 ' ' CYS . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.934 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.02 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.579 HD21 ' HA2' ' A' 1460 ' ' GLY . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 53.22 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.747 ' HB2' HG21 ' A' 1467 ' ' VAL . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.3 110.802 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.412 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.624 HG23 ' HE1' ' A' 1496 ' ' PHE . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1490 ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' 1478 ' ' TYR . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' 1489 ' ' ILE . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' 1498 ' ' VAL . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1499 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 50.44 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' 1503 ' ' VAL . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.32 111.052 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 61.53 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 53.33 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' 1452 ' ' ILE . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 41.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.906 0.384 . . . . 73.35 110.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.711 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 71.51 111.125 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' 1446 ' ' THR . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 31.22 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.767 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.35 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' 1449 ' ' THR . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.141 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 51.23 110.929 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' 1460 ' ' GLY . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.119 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.879 HG22 HD23 ' A' 1466 ' ' LEU . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 54.11 111.126 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 10.1 m120 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1460 ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' 1455 ' ' VAL . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 63.22 112.469 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.879 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.949 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' 1483 ' ' HIS . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.134 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.427 HD21 HG21 ' A' 1473 ' ' VAL . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.23 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.427 HG21 HD21 ' A' 1471 ' ' LEU . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 42.03 111.135 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.22 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.01 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.912 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.478 HD23 HG21 ' A' 1452 ' ' ILE . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.627 HD21 HG23 ' A' 1456 ' ' THR . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.33 110.921 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 73.22 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.55 ' CD1' HD21 ' A' 1517 ' ' LEU . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1491 ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.798 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 63.05 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1495 ' ' LYS . . . . . 0.798 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 61.52 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1498 ' ' VAL . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.55 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 64.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1503 ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' 1504 ' ' ALA . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 52.53 111.084 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1504 ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' 1503 ' ' VAL . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 72.01 110.917 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1506 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 62.52 112.371 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.944 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 53.24 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.895 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' 1489 ' ' ILE . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.3 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 72.24 110.899 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 70.31 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 70.45 111.175 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.4 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m120 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.31 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.701 ' CG2' HD23 ' A' 1466 ' ' LEU . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.31 111.099 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.599 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 52.32 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.701 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' 1483 ' ' HIS . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 65.23 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.547 HD21 HG21 ' A' 1499 ' ' VAL . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1472 ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' 1472 ' ' ILE . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.768 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 62.01 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.768 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' 1467 ' ' VAL . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.652 ' HB2' HG21 ' A' 1467 ' ' VAL . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 71.23 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1488 ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' 1480 ' ' LYS . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.093 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.747 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.31 111.117 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.747 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.903 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1499 ' ' VAL . . . . . 0.547 HG21 HD21 ' A' 1471 ' ' LEU . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.164 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.521 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 52.43 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 65.14 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.645 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' 1452 ' ' ILE . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.645 ' NE ' HD23 ' A' 1510 ' ' LEU . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.925 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' 1461 ' ' TYR . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 60.02 111.141 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 73.03 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.483 ' OG1' HG22 ' A' 1449 ' ' THR . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.538 ' O ' HD11 ' A' 1510 ' ' LEU . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 55.13 112.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 54.22 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.43 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 51.42 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.724 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 65.44 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' 1517 ' ' LEU . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.724 HD23 ' CG2' ' A' 1456 ' ' THR . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.736 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 72.02 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1473 ' ' VAL . . . . . 0.784 HG12 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 52.1 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 71.22 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.784 ' HE2' HG12 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.736 ' HB2' HG21 ' A' 1467 ' ' VAL . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.13 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 71.45 110.906 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE2' ' A' 1496 ' ' PHE . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' 1489 ' ' ILE . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.02 111.134 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.441 ' HD2' HD12 ' A' 1505 ' ' LEU . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.895 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.1 m120 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 54.11 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' 1512 ' ' ALA . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.866 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.538 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.65 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.439 ' HD2' HD23 ' A' 1510 ' ' LEU . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.33 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 54.21 111.157 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.917 0.389 . . . . 71.51 110.902 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.466 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.672 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.54 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' 1452 ' ' ILE . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.136 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.643 HD11 ' SG ' ' A' 1513 ' ' CYS . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 71.13 111.136 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1455 ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' 1460 ' ' GLY . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.881 HG22 HD23 ' A' 1466 ' ' LEU . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 70.12 111.18 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 62.04 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 9.5 m120 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 52.41 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 45.1 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1460 ' ' GLY . . . . . 0.619 ' O ' HG12 ' A' 1455 ' ' VAL . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.04 112.516 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' 1517 ' ' LEU . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.4 ' CE3' HG12 ' A' 1489 ' ' ILE . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.881 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.77 HG21 ' HB3' ' A' 1483 ' ' HIS . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.51 111.126 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 74.13 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 70.52 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1471 ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' 1490 ' ' CYS . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 44.54 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 63.24 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' 1467 ' ' VAL . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 61.23 110.876 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 54.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' 1466 ' ' LEU . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.77 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 60.43 110.873 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.3 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.755 HG23 ' CE2' ' A' 1496 ' ' PHE . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1490 ' ' CYS . . . . . 0.441 ' SG ' HD22 ' A' 1471 ' ' LEU . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.796 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.5 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1494 ' ' ASN . . . . . 0.413 ' OD1' HG22 ' A' 1446 ' ' THR . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.875 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1495 ' ' LYS . . . . . 0.796 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.885 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.755 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' 1498 ' ' VAL . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.61 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.1 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 52.4 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' 1500 ' ' LYS . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 72.41 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 70.54 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' 1512 ' ' ALA . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.929 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.643 ' SG ' HD11 ' A' 1452 ' ' ILE . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.567 ' HD2' HD23 ' A' 1510 ' ' LEU . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' 1461 ' ' TYR . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.929 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 5.4 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 74.2 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.526 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 64.31 111.16 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.526 ' HD2' HG22 ' A' 1446 ' ' THR . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1448 ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' 1510 ' ' LEU . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1451 ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' 1517 ' ' LEU . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.455 HG22 ' OG1' ' A' 1456 ' ' THR . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.747 ' CG2' HD23 ' A' 1466 ' ' LEU . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 54.41 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 45.22 110.875 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.747 HD23 ' CG2' ' A' 1456 ' ' THR . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 55.22 110.908 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.645 ' N ' HD22 ' A' 1466 ' ' LEU . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 41.03 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.891 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.62 ' HB3' HG11 ' A' 1467 ' ' VAL . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 62.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 32.1 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1488 ' ' THR . . . . . 0.412 HG22 ' SG ' ' A' 1490 ' ' CYS . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.2 111.174 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1490 ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' 1488 ' ' THR . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1446 ' ' THR . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 62.31 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 53.12 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 70.01 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1498 ' ' VAL . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.34 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.9 m120 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 63.23 110.935 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1506 ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1507 ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1448 ' ' GLU . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 60.52 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.47 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' 1451 ' ' PHE . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 71.21 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 51.44 111.166 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 24.9 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.912 0.387 . . . . 75.44 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.465 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.465 ' HD2' HG22 ' A' 1446 ' ' THR . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1451 ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.618 HD13 HD23 ' A' 1481 ' ' LEU . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.84 HG23 HD23 ' A' 1466 ' ' LEU . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 61.33 111.133 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.435 ' HE2' ' HG1' ' A' 1518 ' ' THR . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 65.03 110.989 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 63.15 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.415 ' HB3' ' HB3' ' A' 1482 ' ' LEU . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 70.02 110.939 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.84 HD23 HG23 ' A' 1456 ' ' THR . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 51.11 110.927 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' 1483 ' ' HIS . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.42 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 65.4 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1474 ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' 1476 ' ' VAL . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1476 ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' 1474 ' ' LYS . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 64.25 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1478 ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' 1492 ' ' ALA . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1481 ' ' LEU . . . . . 0.618 HD23 HD13 ' A' 1452 ' ' ILE . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' 1464 ' ' TRP . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 61.13 110.924 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.679 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 60.32 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.666 HG23 ' CE2' ' A' 1496 ' ' PHE . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1491 ' ' TYR . . . . . 0.572 ' HE2' HD13 ' A' 1481 ' ' LEU . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1492 ' ' ALA . . . . . 0.412 ' HB2' ' CD1' ' A' 1478 ' ' TYR . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 64.04 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.666 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.792 HG11 ' CE1' ' A' 1516 ' ' TYR . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.902 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.897 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 43.43 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 70.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 63.03 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.469 ' HD2' HD23 ' A' 1510 ' ' LEU . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.792 ' CE1' HG11 ' A' 1498 ' ' VAL . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.651 ' H ' HD22 ' A' 1517 ' ' LEU . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1518 ' ' THR . . . . . 0.435 ' HG1' ' HE2' ' A' 1461 ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.16 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.856 0.36 . . . . 73.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1446 ' ' THR . . . . . 0.463 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 65.34 111.166 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1447 ' ' PRO . . . . . 0.692 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 65.01 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 55.41 111.093 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 64.54 111.137 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m120 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 51.34 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 61.23 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1456 ' ' THR . . . . . 0.846 HG22 HD23 ' A' 1466 ' ' LEU . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 63.04 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.34 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 64.4 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1461 ' ' TYR . . . . . 0.554 ' CD2' HD12 ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 62.12 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 62.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 53.11 110.885 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1464 ' ' TRP . . . . . 0.486 ' CD1' HD13 ' A' 1517 ' ' LEU . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1466 ' ' LEU . . . . . 0.846 HD23 HG22 ' A' 1456 ' ' THR . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1467 ' ' VAL . . . . . 0.759 ' N ' HD22 ' A' 1466 ' ' LEU . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.35 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 62.51 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 54.43 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 40.35 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1480 ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' 1467 ' ' VAL . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.55 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1482 ' ' LEU . . . . . 0.441 HD11 HG23 ' A' 1452 ' ' ILE . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1483 ' ' HIS . . . . . 0.664 ' HB2' HG21 ' A' 1467 ' ' VAL . 1.3 t60 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.864 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1484 ' ' TRP . . . . . 0.409 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 50.35 110.927 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 71.52 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1489 ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' 1496 ' ' PHE . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 65.15 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1496 ' ' PHE . . . . . 0.616 ' HE1' HG23 ' A' 1489 ' ' ILE . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1498 ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 42.33 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1500 ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' 1505 ' ' LEU . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 54.42 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 62.24 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1505 ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.34 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1509 ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' 1512 ' ' ALA . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1510 ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1512 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1513 ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 51.31 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1514 ' ' ARG . . . . . 0.523 ' HD2' HD23 ' A' 1510 ' ' LEU . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.01 110.838 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1516 ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.917 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' 1461 ' ' TYR . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 64.01 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.908 0.385 . . . . 74.24 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -110.61 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.45 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.22 110.02 13.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.15 151.9 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 74.34 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 71.14 111.109 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.531 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.21 112.358 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 64.22 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 64.34 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.13 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.598 HD11 ' SG ' ' A' 1513 ' ' CYS . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 60.25 111.138 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' 1461 ' ' TYR . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.54 111.164 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1456 ' ' THR . . . . . 1.046 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 53.52 111.109 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 4.4 m120 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 70.21 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.615 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 64.01 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.4 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 65.41 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 61.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1466 ' ' LEU . . . . . 1.046 HD13 HG22 ' A' 1456 ' ' THR . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.44 110.909 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.691 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.146 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 63.54 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 62.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' 1467 ' ' VAL . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.456 HD23 HG21 ' A' 1452 ' ' ILE . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.882 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.691 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.834 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1487 ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' 1488 ' ' THR . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1488 ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' 1487 ' ' GLN . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.615 HG23 ' CE1' ' A' 1496 ' ' PHE . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 52.12 111.183 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 41.22 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' TYR . . . . . 0.413 ' HE1' HD13 ' A' 1481 ' ' LEU . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.642 ' HA ' HG21 ' A' 1446 ' ' THR . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.01 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.4 111.142 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' 1505 ' ' LEU . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 32.13 110.863 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' 1504 ' ' ALA . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.134 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' 1503 ' ' VAL . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 55.12 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' 1500 ' ' LYS . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 51.12 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 72.13 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.598 ' SG ' HD11 ' A' 1452 ' ' ILE . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.414 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1461 ' ' TYR . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.25 12.27 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.42 15.91 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 64.55 110.869 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -83.59 -29.9 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 72.22 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.0 154.5 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.106 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.107 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 75.3 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 60.73 50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.861 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.75 104.57 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -87.58 -172.94 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.909 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.605 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.128 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' 1449 ' ' THR . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 54.21 110.843 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' 1461 ' ' TYR . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 54.32 111.089 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1456 ' ' THR . . . . . 1.008 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.545 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 73.24 110.958 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.13 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.47 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 41.44 110.871 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1466 ' ' LEU . . . . . 1.008 HD13 HG22 ' A' 1456 ' ' THR . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' 1480 ' ' LYS . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.106 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 72.01 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 62.33 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 64.1 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.722 ' O ' HG23 ' A' 1467 ' ' VAL . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.892 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.486 HD23 HG21 ' A' 1452 ' ' ILE . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 62.33 110.935 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.576 HD21 HG23 ' A' 1456 ' ' THR . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.878 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.665 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.1 t60 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.24 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 45.4 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 35.11 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.32 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1488 ' ' THR . . . . . 0.406 HG23 ' ND1' ' A' 1483 ' ' HIS . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 64.3 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.579 HG23 ' HE2' ' A' 1496 ' ' PHE . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 65.42 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.579 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.877 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.44 111.102 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 53.43 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.883 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.45 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 41.44 110.86 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.515 ' HD2' HD23 ' A' 1510 ' ' LEU . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.88 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' 1461 ' ' TYR . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.74 5.46 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.1 5.49 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 72.22 110.856 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -27.99 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.47 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -178.38 140.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 60.34 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 52.15 111.148 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.92 0.391 . . . . 70.24 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -98.3 44.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 75.24 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -134.41 30.48 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -85.86 171.39 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.52 110.904 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 71.45 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m120 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 53.43 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.823 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.33 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.02 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.481 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.823 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' 1466 ' ' LEU . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.52 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 72.51 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.24 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 72.43 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' 1467 ' ' VAL . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 61.34 110.893 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.487 HD23 HG21 ' A' 1452 ' ' ILE . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.613 ' HB3' HG11 ' A' 1467 ' ' VAL . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 51.4 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 44.35 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.126 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' 1478 ' ' TYR . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 53.21 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 58.0 t30 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.911 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 63.13 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.04 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.5 m120 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.32 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' 1500 ' ' LYS . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 72.44 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.565 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.493 ' SG ' HD11 ' A' 1452 ' ' ILE . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.565 ' NE ' HD23 ' A' 1510 ' ' LEU . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.88 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.5 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' 1461 ' ' TYR . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 52.14 110.931 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m -116.71 1.12 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.181 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 6.7 t -117.68 -28.65 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.875 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -55.19 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 73.33 110.86 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.617 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -138.38 150.54 46.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.16 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.43 111.083 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 73.12 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -115.88 -47.38 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.864 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 ttt -100.02 122.51 43.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -88.55 159.25 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 73.51 110.966 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 54.14 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 54.05 112.354 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.759 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 60.5 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' 1449 ' ' THR . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 54.41 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.33 110.892 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.794 HG22 HD23 ' A' 1466 ' ' LEU . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.14 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.42 ' CE2' HD23 ' A' 1517 ' ' LEU . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.794 HD23 HG22 ' A' 1456 ' ' THR . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.701 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.118 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 34.2 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 61.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' 1492 ' ' ALA . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 55.22 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' 1467 ' ' VAL . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 54.52 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.701 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1487 ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' 1520 ' ' ARG . 10.1 mp0 -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.12 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.564 HG23 ' HE2' ' A' 1496 ' ' PHE . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' 1478 ' ' TYR . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 64.11 111.063 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.646 ' HA ' HG21 ' A' 1446 ' ' THR . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.564 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 70.23 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 70.3 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.654 HD22 ' OH ' ' A' 1516 ' ' TYR . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 71.33 110.951 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 62.23 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.885 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.35 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.646 ' SG ' HD11 ' A' 1452 ' ' ILE . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.895 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 44.05 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.654 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' 1461 ' ' TYR . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.86 13.12 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.47 13.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.889 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.538 ' CZ ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -75.67 -24.99 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 71.5 110.909 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.538 ' HB3' ' CZ ' ' A' 1520 ' ' ARG . . . -131.67 170.83 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 63.25 111.104 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 52.22 111.104 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 72.31 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -141.01 28.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.889 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 39.4 ttp -142.9 95.11 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -82.2 158.58 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.944 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.777 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 70.44 111.156 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.32 112.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.31 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 73.52 110.905 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.137 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 42.22 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' 1467 ' ' VAL . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 65.5 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.704 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.865 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 64.15 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 53.25 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1488 ' ' THR . . . . . 0.4 HG23 ' ND1' ' A' 1483 ' ' HIS . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 44.53 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 52.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.777 ' HA ' HG21 ' A' 1446 ' ' THR . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 54.24 110.891 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE1' HG23 ' A' 1489 ' ' ILE . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.872 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 60.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 65.45 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.21 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 42.05 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.526 HD23 ' CD ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.925 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.526 ' CD ' HD23 ' A' 1510 ' ' LEU . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.851 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.02 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1461 ' ' TYR . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.14 12.36 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 20.15 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 53.41 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.539 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -92.05 -22.09 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.51 110.891 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.539 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -105.78 130.85 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.25 111.07 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 61.23 111.117 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 71.54 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 59.32 58.95 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 73.15 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.7 ttm -172.66 72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.92 163.76 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 64.32 110.914 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.558 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 60.44 111.149 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.585 ' O ' HD11 ' A' 1510 ' ' LEU . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.23 112.389 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.168 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 71.21 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 34.23 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 64.12 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.13 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 65.23 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 72.42 110.929 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.469 ' CE2' HD23 ' A' 1517 ' ' LEU . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 60.32 110.905 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 40.23 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 64.42 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 60.25 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' 1467 ' ' VAL . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.441 HD23 HG21 ' A' 1452 ' ' ILE . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.653 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 62.22 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.02 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 52.23 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.693 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 54.31 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.558 ' HA ' HG21 ' A' 1446 ' ' THR . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.883 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.693 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.4 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 63.24 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 32.33 111.132 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' 1452 ' ' ILE . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 34.1 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' 1461 ' ' TYR . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.23 8.01 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.144 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.68 15.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.842 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -70.07 -23.93 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.885 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -111.44 152.36 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.097 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.099 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 72.01 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -128.63 29.14 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 5.9 ttm -159.96 88.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 62.01 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -80.76 -175.04 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 71.04 110.925 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.668 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 64.12 112.306 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 62.3 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.44 111.174 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' 1449 ' ' THR . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 61.52 111.097 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1460 ' ' GLY . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.831 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 31.34 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1460 ' ' GLY . . . . . 0.642 ' O ' HG12 ' A' 1455 ' ' VAL . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 72.43 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 62.44 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.734 ' CB ' HD22 ' A' 1482 ' ' LEU . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 73.24 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1465 ' ' HIS . . . . . 0.716 ' O ' HD23 ' A' 1482 ' ' LEU . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.831 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.934 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' 1480 ' ' LYS . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.13 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.431 ' HG ' HG23 ' A' 1473 ' ' VAL . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.44 110.927 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 61.34 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.431 HG23 ' HG ' ' A' 1471 ' ' LEU . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.1 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.23 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 53.24 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' 1467 ' ' VAL . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.879 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.734 HD22 ' CB ' ' A' 1464 ' ' TRP . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.54 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 51.24 110.853 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.21 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.03 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' 1496 ' ' PHE . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 60.45 111.13 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' 1446 ' ' THR . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' 1446 ' ' THR . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.12 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.654 ' HE2' HG23 ' A' 1489 ' ' ILE . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1499 ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.676 ' HB2' HG12 ' A' 1503 ' ' VAL . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 m120 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 52.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' 1500 ' ' LYS . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 1503 ' ' VAL . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.105 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.561 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 54.55 110.896 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.137 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.665 ' SG ' HD11 ' A' 1452 ' ' ILE . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.21 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.614 ' NE ' HD23 ' A' 1510 ' ' LEU . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.14 110.877 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.561 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' 1489 ' ' ILE . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.888 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m -117.58 -0.7 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 3.21 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.82 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -77.91 -33.09 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.878 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -114.52 129.15 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 44.42 111.128 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.44 111.123 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.889 0.376 . . . . 50.11 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -103.77 89.78 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 72.29 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.41 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -118.34 166.53 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.591 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 62.13 112.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.635 HD11 ' SG ' ' A' 1513 ' ' CYS . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.11 111.148 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.759 HG22 HD23 ' A' 1466 ' ' LEU . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 65.13 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 41.43 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.566 ' CE2' HD23 ' A' 1517 ' ' LEU . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.759 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.921 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.66 ' N ' HD22 ' A' 1466 ' ' LEU . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.35 111.149 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 54.22 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.48 HD21 HG21 ' A' 1473 ' ' VAL . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.945 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.48 HG21 HD21 ' A' 1471 ' ' LEU . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 65.01 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 64.03 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 71.54 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.5 ' CZ3' ' HD3' ' A' 1520 ' ' ARG . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 50.43 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.664 HG23 ' CE2' ' A' 1496 ' ' PHE . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.02 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 53.33 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.13 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.664 ' CE2' HG23 ' A' 1489 ' ' ILE . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 73.03 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 60.11 111.14 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 24.54 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 64.55 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.12 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 50.44 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 61.41 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.25 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.873 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.579 ' HD2' HD23 ' A' 1510 ' ' LEU . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.403 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.24 110.889 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' 1461 ' ' TYR . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -7.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.43 -11.29 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.882 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.5 ' HD3' ' CZ3' ' A' 1484 ' ' TRP . 0.0 OUTLIER -50.52 -25.68 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.15 110.862 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.433 ' HB3' ' HE ' ' A' 1520 ' ' ARG . . . -133.67 100.05 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.14 111.086 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.092 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 52.41 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -130.97 -60.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.22 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 55.41 63.54 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 54.24 110.893 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.99 156.64 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 55.31 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.14 112.335 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 70.41 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 52.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1451 ' ' PHE . . . . . 0.407 ' HE1' ' HH ' ' A' 1461 ' ' TYR . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.856 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.4 m120 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.865 HG22 HD23 ' A' 1466 ' ' LEU . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 61.33 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.5 m120 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 61.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 41.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.407 ' HH ' ' HE1' ' A' 1451 ' ' PHE . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 50.2 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.489 ' CE2' HD23 ' A' 1517 ' ' LEU . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.3 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1465 ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' 1482 ' ' LEU . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.866 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.865 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.709 ' N ' HD22 ' A' 1466 ' ' LEU . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 54.3 111.089 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 41.22 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.33 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 62.25 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 54.33 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 62.52 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.55 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' 1467 ' ' VAL . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 44.23 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' 1465 ' ' HIS . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 62.02 110.889 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.572 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.5 p-80 -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.423 ' CG ' ' O ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 62.41 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 71.11 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.638 HG23 ' HE2' ' A' 1496 ' ' PHE . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 45.3 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' 1489 ' ' ILE . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.12 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' 1498 ' ' VAL . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.124 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.464 ' HD3' HD12 ' A' 1505 ' ' LEU . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 43.34 110.881 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 61.13 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.464 HD12 ' HD3' ' A' 1500 ' ' LYS . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 54.1 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 64.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.623 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 41.42 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' 1452 ' ' ILE . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.623 ' HD3' HD23 ' A' 1510 ' ' LEU . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 64.14 110.853 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 65.5 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' 1464 ' ' TRP . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m -105.77 -20.46 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 1.9 t -99.33 -35.03 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.917 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -51.96 -30.07 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 71.15 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -177.69 115.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 42.43 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 73.4 111.053 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 71.34 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -121.81 -49.4 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 tpt 72.31 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 73.02 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 44.05 -163.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.946 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.44 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 60.1 111.187 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' 1510 ' ' LEU . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.32 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.577 ' HA ' HD12 ' A' 1452 ' ' ILE . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 43.43 111.14 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.64 HD11 ' SG ' ' A' 1513 ' ' CYS . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m120 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' 1461 ' ' TYR . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 51.04 111.105 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1456 ' ' THR . . . . . 1.042 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.2 111.153 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 70.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 64.11 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.612 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.41 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1466 ' ' LEU . . . . . 1.042 HD13 HG22 ' A' 1456 ' ' THR . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' 1483 ' ' HIS . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.13 111.09 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 60.05 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 71.24 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 54.34 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.5 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' 1467 ' ' VAL . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.895 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.649 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 54.15 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 62.34 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.2 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 61.41 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 63.42 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1499 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 44.23 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.699 ' HB2' HG12 ' A' 1503 ' ' VAL . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 65.24 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.699 HG12 ' HB2' ' A' 1500 ' ' LYS . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' 1503 ' ' VAL . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 51.24 111.119 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.537 ' HB2' HG13 ' A' 1498 ' ' VAL . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 62.43 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 70.03 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1512 ' ' ALA . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.24 110.911 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' 1452 ' ' ILE . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.79 11.03 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 18.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.879 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.504 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -95.65 -19.87 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 73.22 110.907 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.504 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -113.3 26.21 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.42 111.072 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 64.23 111.112 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.863 0.364 . . . . 62.04 110.799 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -136.59 46.09 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.818 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.22 37.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.867 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.71 165.66 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 64.13 110.907 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 54.25 111.132 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' 1510 ' ' LEU . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 51.12 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 62.23 111.135 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.654 HD11 ' SG ' ' A' 1513 ' ' CYS . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.53 111.101 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.05 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 72.03 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.94 HG22 HD23 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.54 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 51.13 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 43.25 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1465 ' ' HIS . . . . . 0.629 ' O ' HD23 ' A' 1482 ' ' LEU . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.94 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' 1480 ' ' LYS . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 62.15 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' 1473 ' ' VAL . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 53.4 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1472 ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' 1472 ' ' ILE . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 63.33 111.173 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.579 HG23 ' HG ' ' A' 1471 ' ' LEU . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.31 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.02 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' 1467 ' ' VAL . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.921 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' 1465 ' ' HIS . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.519 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.895 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 72.15 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 22.1 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.506 ' CD1' HD21 ' A' 1517 ' ' LEU . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.092 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1490 ' ' CYS . . . . . 0.53 ' SG ' HD22 ' A' 1471 ' ' LEU . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' 1495 ' ' LYS . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1446 ' ' THR . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1492 ' ' ALA . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.473 ' HE1' HG23 ' A' 1489 ' ' ILE . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.889 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.23 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1499 ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' 1503 ' ' VAL . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' 1504 ' ' ALA . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' 1503 ' ' VAL . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.14 111.105 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 55.32 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 64.41 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' 1512 ' ' ALA . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.602 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' 1452 ' ' ILE . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.866 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.602 ' HD3' HD23 ' A' 1510 ' ' LEU . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.89 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.25 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' 1489 ' ' ILE . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 7.22 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.095 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.81 13.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.845 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -72.99 -33.0 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.889 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -128.16 161.04 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.12 111.091 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.064 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.892 0.377 . . . . 73.13 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.21 135.28 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.15 110.874 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 19.4 ttm 56.62 79.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.864 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1445 ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' 1450 ' ' ALA . 2.6 tt0 -51.71 132.76 31.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' 1494 ' ' ASN . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.607 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 51.32 112.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.545 ' HA ' HD12 ' A' 1452 ' ' ILE . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.129 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1450 ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' 1445 ' ' GLN . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' 1449 ' ' THR . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.141 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 41.43 110.844 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.22 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.757 HG22 HD23 ' A' 1466 ' ' LEU . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.135 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 43.34 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1460 ' ' GLY . . . . . 0.494 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 50.14 112.497 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1465 ' ' HIS . . . . . 0.414 ' O ' HD23 ' A' 1482 ' ' LEU . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.872 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.757 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.951 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.757 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 53.44 111.158 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 64.51 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 52.34 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.432 HD21 HG21 ' A' 1473 ' ' VAL . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.432 HG21 HD21 ' A' 1471 ' ' LEU . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.42 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.879 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.421 ' CD2' HG21 ' A' 1452 ' ' ILE . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.494 HD21 ' HA2' ' A' 1460 ' ' GLY . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.917 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.757 ' HB2' HG21 ' A' 1467 ' ' VAL . 9.0 t60 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.44 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 51.13 111.132 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.658 HG23 ' CE2' ' A' 1496 ' ' PHE . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.806 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 61.42 111.083 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.806 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.658 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 31.14 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 63.41 110.879 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1506 ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.2 112.388 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 34.2 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.741 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 64.35 110.887 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 34.55 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 71.15 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.741 ' HD3' HD23 ' A' 1510 ' ' LEU . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 61.13 110.918 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 11.51 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.52 18.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.877 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.547 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -94.77 -19.91 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.12 110.881 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.547 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -146.12 25.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.4 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 70.34 111.113 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 53.14 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -147.86 34.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.0 mtt 60.79 63.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -91.16 -175.14 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.904 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 50.05 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.661 ' O ' HD11 ' A' 1510 ' ' LEU . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 63.32 112.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.782 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' 1449 ' ' THR . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.86 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.783 HG23 HD23 ' A' 1466 ' ' LEU . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.12 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.11 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 33.44 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1460 ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 40.53 112.464 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.473 ' HB3' HD22 ' A' 1482 ' ' LEU . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.783 HD23 HG23 ' A' 1456 ' ' THR . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 60.33 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' 1483 ' ' HIS . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.118 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.52 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' 1490 ' ' CYS . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.934 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.02 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.579 HD21 ' HA2' ' A' 1460 ' ' GLY . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 53.22 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.747 ' HB2' HG21 ' A' 1467 ' ' VAL . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.3 110.802 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.412 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.624 HG23 ' HE1' ' A' 1496 ' ' PHE . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1490 ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' 1478 ' ' TYR . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' 1489 ' ' ILE . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' 1498 ' ' VAL . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1499 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 50.44 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' 1503 ' ' VAL . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.32 111.052 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 61.53 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 53.33 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' 1452 ' ' ILE . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 41.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.89 9.19 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.1 17.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.835 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -79.81 -31.66 40.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 74.01 110.885 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -109.29 129.33 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 53.14 111.109 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 73.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.927 0.394 . . . . 73.15 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -94.33 107.41 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.812 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 59.9 mtt 55.09 76.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -91.35 157.44 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.35 110.887 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.711 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 71.51 111.125 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' 1446 ' ' THR . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 31.22 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.767 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.35 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' 1449 ' ' THR . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.141 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m120 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 51.23 110.929 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' 1460 ' ' GLY . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.119 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.879 HG22 HD23 ' A' 1466 ' ' LEU . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 54.11 111.126 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 10.1 m120 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1460 ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' 1455 ' ' VAL . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 63.22 112.469 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.879 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.949 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' 1483 ' ' HIS . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.134 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.427 HD21 HG21 ' A' 1473 ' ' VAL . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.23 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.427 HG21 HD21 ' A' 1471 ' ' LEU . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 42.03 111.135 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.22 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.01 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.912 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.478 HD23 HG21 ' A' 1452 ' ' ILE . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.627 HD21 HG23 ' A' 1456 ' ' THR . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' 1521 ' ' ALA . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.33 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 73.22 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.55 ' CD1' HD21 ' A' 1517 ' ' LEU . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1491 ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.798 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 63.05 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.798 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 61.52 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.598 HG21 ' NH2' ' A' 1520 ' ' ARG . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.55 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 64.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1503 ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' 1504 ' ' ALA . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 52.53 111.084 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1504 ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' 1503 ' ' VAL . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 72.01 110.917 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1506 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 62.52 112.371 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.944 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 53.24 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.895 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' 1489 ' ' ILE . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m -111.48 -19.13 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.06 0.26 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.598 ' NH2' HG21 ' A' 1498 ' ' VAL . 5.0 tpp180 -91.89 -25.96 18.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.504 ' HB2' ' CH2' ' A' 1484 ' ' TRP . . . -178.59 156.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 71.34 111.091 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.02 111.139 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.358 . . . . 74.44 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -91.35 55.78 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.858 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.14 98.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 64.43 110.906 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -96.17 172.29 8.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 70.31 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 70.45 111.175 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.4 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m120 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.31 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.701 ' CG2' HD23 ' A' 1466 ' ' LEU . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.31 111.099 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.599 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.449 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 52.32 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.701 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' 1483 ' ' HIS . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 65.23 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.547 HD21 HG21 ' A' 1499 ' ' VAL . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1472 ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' 1472 ' ' ILE . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.768 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 62.01 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.768 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' 1467 ' ' VAL . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.652 ' HB2' HG21 ' A' 1467 ' ' VAL . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 71.23 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1488 ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' 1480 ' ' LYS . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.093 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.747 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.31 111.117 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.747 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.903 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1499 ' ' VAL . . . . . 0.547 HG21 HD21 ' A' 1471 ' ' LEU . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.164 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.521 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 52.43 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 65.14 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.645 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' 1452 ' ' ILE . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.645 ' NE ' HD23 ' A' 1510 ' ' LEU . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.925 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' 1461 ' ' TYR . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 3.65 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 60.02 111.141 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 22.8 t -117.19 -24.03 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 35.04 110.9 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ARG . . . . . 0.46 ' NH1' HG21 ' A' 1498 ' ' VAL . 0.0 OUTLIER -74.98 -42.61 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 71.54 110.901 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -174.88 152.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.117 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.139 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 73.32 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -107.07 -60.97 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.43 110.831 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.8 89.42 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -83.13 162.39 21.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.03 110.893 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.483 ' OG1' HG22 ' A' 1449 ' ' THR . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.538 ' O ' HD11 ' A' 1510 ' ' LEU . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 55.13 112.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 54.22 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.43 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 51.42 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.724 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 65.44 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' 1517 ' ' LEU . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.724 HD23 ' CG2' ' A' 1456 ' ' THR . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.736 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 72.02 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1473 ' ' VAL . . . . . 0.784 HG12 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 52.1 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 71.22 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.784 ' HE2' HG12 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.736 ' HB2' HG21 ' A' 1467 ' ' VAL . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.13 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 71.45 110.906 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE2' ' A' 1496 ' ' PHE . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' 1489 ' ' ILE . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.02 111.134 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.441 ' HD2' HD12 ' A' 1505 ' ' LEU . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.895 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.1 m120 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 54.11 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' 1512 ' ' ALA . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.866 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.538 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.65 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.439 ' HD2' HD23 ' A' 1510 ' ' LEU . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.33 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.8 15.6 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 54.21 111.157 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.73 19.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 35.32 110.894 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -24.48 39.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 71.21 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -125.13 -172.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 62.33 111.118 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 52.13 111.081 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.378 . . . . 64.14 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 157.32 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.86 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.32 28.79 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.15 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 43.98 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.51 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.466 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.672 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.54 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' 1452 ' ' ILE . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.136 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.643 HD11 ' SG ' ' A' 1513 ' ' CYS . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 71.13 111.136 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1455 ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' 1460 ' ' GLY . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.881 HG22 HD23 ' A' 1466 ' ' LEU . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 70.12 111.18 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 62.04 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 9.5 m120 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 52.41 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 45.1 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1460 ' ' GLY . . . . . 0.619 ' O ' HG12 ' A' 1455 ' ' VAL . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.04 112.516 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' 1517 ' ' LEU . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.556 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.4 ' CE3' HG12 ' A' 1489 ' ' ILE . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.881 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.77 HG21 ' HB3' ' A' 1483 ' ' HIS . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.51 111.126 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 74.13 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 70.52 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1471 ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' 1490 ' ' CYS . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 44.54 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 63.24 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' 1467 ' ' VAL . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 61.23 110.876 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 54.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' 1466 ' ' LEU . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.77 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 60.43 110.873 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.3 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.755 HG23 ' CE2' ' A' 1496 ' ' PHE . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1490 ' ' CYS . . . . . 0.441 ' SG ' HD22 ' A' 1471 ' ' LEU . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.796 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.5 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1494 ' ' ASN . . . . . 0.413 ' OD1' HG22 ' A' 1446 ' ' THR . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.875 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1495 ' ' LYS . . . . . 0.796 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.885 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.755 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' 1498 ' ' VAL . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.61 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 3.3 m120 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.1 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 52.4 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' 1500 ' ' LYS . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 72.41 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 70.54 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' 1512 ' ' ALA . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.929 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.643 ' SG ' HD11 ' A' 1452 ' ' ILE . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.567 ' HD2' HD23 ' A' 1510 ' ' LEU . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' 1461 ' ' TYR . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.929 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.08 10.73 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 2.0 t -133.82 5.22 3.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 45.31 110.869 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -95.45 -26.92 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 74.01 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.556 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -178.44 160.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.128 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 55.32 111.085 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.891 0.376 . . . . 73.32 110.847 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.15 -39.8 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.19 78.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.886 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -80.32 174.87 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.933 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.526 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 64.31 111.16 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.526 ' HD2' HG22 ' A' 1446 ' ' THR . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1448 ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' 1510 ' ' LEU . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1451 ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' 1517 ' ' LEU . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.455 HG22 ' OG1' ' A' 1456 ' ' THR . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.747 ' CG2' HD23 ' A' 1466 ' ' LEU . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 54.41 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.61 ' OG ' ' HB1' ' A' 1521 ' ' ALA . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 45.22 110.875 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.747 HD23 ' CG2' ' A' 1456 ' ' THR . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 55.22 110.908 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.645 ' N ' HD22 ' A' 1466 ' ' LEU . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 41.03 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.891 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.62 ' HB3' HG11 ' A' 1467 ' ' VAL . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 62.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 32.1 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1488 ' ' THR . . . . . 0.412 HG22 ' SG ' ' A' 1490 ' ' CYS . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.2 111.174 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1490 ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' 1488 ' ' THR . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1446 ' ' THR . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 62.31 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 53.12 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 70.01 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1498 ' ' VAL . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.34 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.9 m120 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 63.23 110.935 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1506 ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1507 ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1448 ' ' GLU . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 60.52 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.47 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' 1451 ' ' PHE . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 71.21 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1518 ' ' THR . . . . . 0.699 ' HA ' ' HB2' ' A' 1522 ' ' ALA . 1.3 m -132.8 9.48 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 51.44 111.166 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.13 -34.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -28.07 43.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.61 ' HB1' ' OG ' ' A' 1463 ' ' SER . . . -171.51 68.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.45 111.101 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1522 ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' 1518 ' ' THR . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 55.14 111.119 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 35.11 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -138.39 33.09 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.897 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.33 121.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.867 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -101.17 172.81 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.465 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.465 ' HD2' HG22 ' A' 1446 ' ' THR . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1451 ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.618 HD13 HD23 ' A' 1481 ' ' LEU . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.84 HG23 HD23 ' A' 1466 ' ' LEU . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 61.33 111.133 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.435 ' HE2' ' HG1' ' A' 1518 ' ' THR . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 65.03 110.989 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 63.15 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.415 ' HB3' ' HB3' ' A' 1482 ' ' LEU . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 70.02 110.939 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.84 HD23 HG23 ' A' 1456 ' ' THR . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 51.11 110.927 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' 1483 ' ' HIS . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.42 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 65.4 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1474 ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' 1476 ' ' VAL . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1476 ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' 1474 ' ' LYS . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 64.25 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1478 ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' 1492 ' ' ALA . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1481 ' ' LEU . . . . . 0.618 HD23 HD13 ' A' 1452 ' ' ILE . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' 1464 ' ' TRP . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 61.13 110.924 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.679 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 60.32 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.666 HG23 ' CE2' ' A' 1496 ' ' PHE . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1491 ' ' TYR . . . . . 0.572 ' HE2' HD13 ' A' 1481 ' ' LEU . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1492 ' ' ALA . . . . . 0.412 ' HB2' ' CD1' ' A' 1478 ' ' TYR . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 64.04 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.666 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.792 HG11 ' CE1' ' A' 1516 ' ' TYR . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.902 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.897 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 43.43 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 70.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 63.03 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.469 ' HD2' HD23 ' A' 1510 ' ' LEU . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.792 ' CE1' HG11 ' A' 1498 ' ' VAL . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.651 ' H ' HD22 ' A' 1517 ' ' LEU . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1518 ' ' THR . . . . . 0.435 ' HG1' ' HE2' ' A' 1461 ' ' TYR . 0.2 OUTLIER -96.18 19.42 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.16 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.83 -35.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 55.23 110.837 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -57.01 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 64.14 110.865 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.07 116.29 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 50.43 111.119 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.15 111.117 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.914 0.388 . . . . 52.13 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -118.48 166.41 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 75.3 110.849 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.17 -75.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 20.6 pt20 44.2 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.934 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1446 ' ' THR . . . . . 0.463 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 65.34 111.166 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1447 ' ' PRO . . . . . 0.692 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 65.01 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 55.41 111.093 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 64.54 111.137 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m120 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 51.34 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 61.23 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1456 ' ' THR . . . . . 0.846 HG22 HD23 ' A' 1466 ' ' LEU . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 63.04 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.34 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 64.4 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1461 ' ' TYR . . . . . 0.554 ' CD2' HD12 ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 62.12 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 62.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1463 ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 53.11 110.885 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1464 ' ' TRP . . . . . 0.486 ' CD1' HD13 ' A' 1517 ' ' LEU . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1466 ' ' LEU . . . . . 0.846 HD23 HG22 ' A' 1456 ' ' THR . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1467 ' ' VAL . . . . . 0.759 ' N ' HD22 ' A' 1466 ' ' LEU . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.35 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 62.51 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 54.43 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 40.35 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1480 ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' 1467 ' ' VAL . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.55 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1482 ' ' LEU . . . . . 0.441 HD11 HG23 ' A' 1452 ' ' ILE . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1483 ' ' HIS . . . . . 0.664 ' HB2' HG21 ' A' 1467 ' ' VAL . 1.3 t60 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.864 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1484 ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' 1521 ' ' ALA . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 50.35 110.927 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 71.52 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1489 ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' 1496 ' ' PHE . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 65.15 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1496 ' ' PHE . . . . . 0.616 ' HE1' HG23 ' A' 1489 ' ' ILE . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1498 ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 42.33 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1500 ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' 1505 ' ' LEU . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 54.42 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 62.24 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1505 ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.34 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1509 ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' 1512 ' ' ALA . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1510 ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1513 ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 51.31 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1514 ' ' ARG . . . . . 0.523 ' HD2' HD23 ' A' 1510 ' ' LEU . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.01 110.838 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.917 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' 1461 ' ' TYR . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 64.01 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.93 -20.29 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 10.4 t -78.76 -33.22 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -51.9 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1521 ' ' ALA . . . . . 0.644 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -162.64 155.21 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.45 111.097 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.22 111.074 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.916 0.389 . . . . 74.34 110.904 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 71.14 111.109 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.531 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.21 112.358 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 64.22 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 64.34 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.13 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.598 HD11 ' SG ' ' A' 1513 ' ' CYS . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 60.25 111.138 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' 1461 ' ' TYR . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.54 111.164 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 1.046 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 53.52 111.109 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 70.21 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.615 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 64.01 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.4 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 65.41 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 61.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 1.046 HD13 HG22 ' A' 1456 ' ' THR . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.44 110.909 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.691 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.146 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 63.54 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 62.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' 1467 ' ' VAL . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.456 HD23 HG21 ' A' 1452 ' ' ILE . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.882 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.691 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.834 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' 1488 ' ' THR . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' 1487 ' ' GLN . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.615 HG23 ' CE1' ' A' 1496 ' ' PHE . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 52.12 111.183 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 41.22 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . 0.413 ' HE1' HD13 ' A' 1481 ' ' LEU . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.642 ' HA ' HG21 ' A' 1446 ' ' THR . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.01 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.4 111.142 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' 1505 ' ' LEU . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 32.13 110.863 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . 0.451 ' N ' HD22 ' A' 1501 ' ' ASN . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' 1504 ' ' ALA . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.134 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' 1503 ' ' VAL . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 55.12 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' 1500 ' ' LYS . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 51.12 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 72.13 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.598 ' SG ' HD11 ' A' 1452 ' ' ILE . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.414 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1461 ' ' TYR . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.421 HE21 HG23 ' A' 1449 ' ' THR . 18.8 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.843 0.354 . . . . 72.13 110.909 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.605 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.128 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' 1449 ' ' THR . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 54.21 110.843 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' 1461 ' ' TYR . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 54.32 111.089 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 1.008 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.545 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 73.24 110.958 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.13 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 41.44 110.871 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 1.008 HD13 HG22 ' A' 1456 ' ' THR . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' 1480 ' ' LYS . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.106 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 72.01 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 62.33 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 64.1 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.722 ' O ' HG23 ' A' 1467 ' ' VAL . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.892 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.486 HD23 HG21 ' A' 1452 ' ' ILE . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 62.33 110.935 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.576 HD21 HG23 ' A' 1456 ' ' THR . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.878 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.665 ' HB2' HG21 ' A' 1467 ' ' VAL . 14.4 t-160 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.24 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 45.4 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 35.11 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.32 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.619 HG23 ' CD2' ' A' 1483 ' ' HIS . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 64.3 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.579 HG23 ' HE2' ' A' 1496 ' ' PHE . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 65.42 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.579 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.877 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.44 111.102 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 53.43 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.883 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.45 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 41.44 110.86 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.515 ' HD2' HD23 ' A' 1510 ' ' LEU . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.88 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' 1461 ' ' TYR . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.562 HE21 HG23 ' A' 1449 ' ' THR . 16.8 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.91 0.386 . . . . 71.52 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 71.45 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 53.43 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.823 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.33 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.02 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.481 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.823 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' 1466 ' ' LEU . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.52 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 72.51 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.24 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 72.43 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' 1467 ' ' VAL . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 61.34 110.893 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.487 HD23 HG21 ' A' 1452 ' ' ILE . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.613 ' HB3' HG11 ' A' 1467 ' ' VAL . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 51.4 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 44.35 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.126 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' 1478 ' ' TYR . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 53.21 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.911 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 63.13 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.04 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' 1501 ' ' ASN . 2.2 m-80 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.32 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' 1500 ' ' LYS . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 72.44 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.565 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.493 ' SG ' HD11 ' A' 1452 ' ' ILE . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.565 ' NE ' HD23 ' A' 1510 ' ' LEU . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.88 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.5 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' 1461 ' ' TYR . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 52.14 110.931 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.181 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.422 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.4 tt0 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.36 . . . . 73.51 110.966 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 54.14 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 54.05 112.354 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.759 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 60.5 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' 1449 ' ' THR . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 54.41 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . 0.422 ' ND2' HE22 ' A' 1445 ' ' GLN . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.33 110.892 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.794 HG22 HD23 ' A' 1466 ' ' LEU . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.14 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.42 ' CE2' HD23 ' A' 1517 ' ' LEU . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.794 HD23 HG22 ' A' 1456 ' ' THR . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.701 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.118 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 34.2 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 61.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' 1492 ' ' ALA . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 55.22 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' 1467 ' ' VAL . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 54.52 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.701 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . 0.457 HE21 ' N ' ' A' 1487 ' ' GLN . 0.0 OUTLIER -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.12 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.564 HG23 ' HE2' ' A' 1496 ' ' PHE . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' 1478 ' ' TYR . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 64.11 111.063 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.646 ' HA ' HG21 ' A' 1446 ' ' THR . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.564 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 70.23 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 70.3 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.654 HD22 ' OH ' ' A' 1516 ' ' TYR . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 71.33 110.951 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 62.23 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.885 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.35 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.646 ' SG ' HD11 ' A' 1452 ' ' ILE . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.895 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 44.05 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.654 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' 1461 ' ' TYR . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' 1449 ' ' THR . 5.6 tt0 . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.854 0.359 . . . . 73.02 110.944 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.777 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 70.44 111.156 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.32 112.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . 0.428 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.31 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 73.52 110.905 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.137 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 42.22 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' 1467 ' ' VAL . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 65.5 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.704 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.865 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 64.15 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 53.25 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.4 HG23 ' ND1' ' A' 1483 ' ' HIS . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 44.53 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 52.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.777 ' HA ' HG21 ' A' 1446 ' ' THR . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 54.24 110.891 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE1' HG23 ' A' 1489 ' ' ILE . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.872 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 60.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 65.45 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.21 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 42.05 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.526 HD23 ' CD ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.925 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.526 ' CD ' HD23 ' A' 1510 ' ' LEU . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.851 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.02 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1461 ' ' TYR . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.949 0.404 . . . . 64.32 110.914 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.558 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 60.44 111.149 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.585 ' O ' HD11 ' A' 1510 ' ' LEU . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.23 112.389 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.168 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 71.21 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 34.23 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 64.12 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.13 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 65.23 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 72.42 110.929 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.469 ' CE2' HD23 ' A' 1517 ' ' LEU . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 60.32 110.905 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 40.23 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 64.42 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 60.25 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' 1467 ' ' VAL . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.441 HD23 HG21 ' A' 1452 ' ' ILE . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.653 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 62.22 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.02 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 52.23 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.693 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 54.31 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.558 ' HA ' HG21 ' A' 1446 ' ' THR . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.883 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.693 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.6 p30 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.4 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 63.24 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 32.33 111.132 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' 1452 ' ' ILE . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 34.1 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' 1461 ' ' TYR . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.144 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.458 HE21 HG23 ' A' 1449 ' ' THR . 13.9 pt20 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.864 0.364 . . . . 71.04 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.668 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 64.12 112.306 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 62.3 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.44 111.174 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' 1449 ' ' THR . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 61.52 111.097 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1460 ' ' GLY . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.831 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 31.34 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . 0.642 ' O ' HG12 ' A' 1455 ' ' VAL . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 72.43 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 62.44 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.734 ' CB ' HD22 ' A' 1482 ' ' LEU . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 73.24 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . 0.716 ' O ' HD23 ' A' 1482 ' ' LEU . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.831 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.934 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' 1480 ' ' LYS . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.13 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.431 ' HG ' HG23 ' A' 1473 ' ' VAL . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.44 110.927 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 61.34 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.431 HG23 ' HG ' ' A' 1471 ' ' LEU . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.1 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.23 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 53.24 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' 1467 ' ' VAL . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.879 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.734 HD22 ' CB ' ' A' 1464 ' ' TRP . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.54 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 51.24 110.853 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.21 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.03 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' 1496 ' ' PHE . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 60.45 111.13 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' 1446 ' ' THR . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' 1446 ' ' THR . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.12 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.654 ' HE2' HG23 ' A' 1489 ' ' ILE . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.676 ' HB2' HG12 ' A' 1503 ' ' VAL . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.526 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.2 m-80 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 52.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' 1500 ' ' LYS . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 1503 ' ' VAL . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.105 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.561 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 54.55 110.896 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.137 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.665 ' SG ' HD11 ' A' 1452 ' ' ILE . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.21 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.614 ' NE ' HD23 ' A' 1510 ' ' LEU . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.14 110.877 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.561 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' 1489 ' ' ILE . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.888 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.844 0.354 . . . . 71.2 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.591 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 62.13 112.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.635 HD11 ' SG ' ' A' 1513 ' ' CYS . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.11 111.148 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.759 HG22 HD23 ' A' 1466 ' ' LEU . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 65.13 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 41.43 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.566 ' CE2' HD23 ' A' 1517 ' ' LEU . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.759 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.921 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.66 ' N ' HD22 ' A' 1466 ' ' LEU . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.35 111.149 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 54.22 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.48 HD21 HG21 ' A' 1473 ' ' VAL . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.945 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.48 HG21 HD21 ' A' 1471 ' ' LEU . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 65.01 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 64.03 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 71.54 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.441 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 50.43 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.664 HG23 ' CE2' ' A' 1496 ' ' PHE . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.02 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 53.33 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.13 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.664 ' CE2' HG23 ' A' 1489 ' ' ILE . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 73.03 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 60.11 111.14 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 24.54 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 p30 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 64.55 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.12 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 50.44 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 61.41 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.25 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.873 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.579 ' HD2' HD23 ' A' 1510 ' ' LEU . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.403 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.24 110.889 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' 1461 ' ' TYR . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.919 0.39 . . . . 55.31 110.871 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.14 112.335 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 70.41 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 52.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . 0.407 ' HE1' ' HH ' ' A' 1461 ' ' TYR . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.856 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.865 HG22 HD23 ' A' 1466 ' ' LEU . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 61.33 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 61.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 41.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.407 ' HH ' ' HE1' ' A' 1451 ' ' PHE . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 50.2 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.489 ' CE2' HD23 ' A' 1517 ' ' LEU . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.3 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' 1482 ' ' LEU . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.866 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.865 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.709 ' N ' HD22 ' A' 1466 ' ' LEU . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 54.3 111.089 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 41.22 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.33 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 62.25 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 54.33 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 62.52 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.55 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' 1467 ' ' VAL . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 44.23 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' 1465 ' ' HIS . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 62.02 110.889 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.572 ' HB3' HG21 ' A' 1467 ' ' VAL . 0.2 OUTLIER -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.423 ' CG ' ' O ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 62.41 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 71.11 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.638 HG23 ' HE2' ' A' 1496 ' ' PHE . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 45.3 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' 1489 ' ' ILE . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.12 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' 1498 ' ' VAL . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.124 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.464 ' HD3' HD12 ' A' 1505 ' ' LEU . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 43.34 110.881 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 61.13 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.464 HD12 ' HD3' ' A' 1500 ' ' LYS . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 54.1 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 64.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.623 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 41.42 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' 1452 ' ' ILE . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.623 ' HD3' HD23 ' A' 1510 ' ' LEU . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 64.14 110.853 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 65.5 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' 1464 ' ' TRP . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.711 HE21 HG23 ' A' 1449 ' ' THR . 4.8 pt20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.861 0.362 . . . . 72.52 110.946 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.44 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 60.1 111.187 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' 1510 ' ' LEU . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.32 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.711 HG23 HE21 ' A' 1445 ' ' GLN . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 43.43 111.14 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.64 HD11 ' SG ' ' A' 1513 ' ' CYS . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' 1461 ' ' TYR . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 51.04 111.105 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 1.042 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.2 111.153 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 70.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 64.11 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.612 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.41 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 1.042 HD13 HG22 ' A' 1456 ' ' THR . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' 1483 ' ' HIS . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.13 111.09 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 60.05 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 71.24 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 54.34 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.5 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' 1467 ' ' VAL . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.895 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.649 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 54.15 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 62.34 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.2 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 61.41 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 63.42 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 44.23 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.699 ' HB2' HG12 ' A' 1503 ' ' VAL . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 65.24 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.699 HG12 ' HB2' ' A' 1500 ' ' LYS . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' 1503 ' ' VAL . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 51.24 111.119 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.537 ' HB2' HG13 ' A' 1498 ' ' VAL . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 62.43 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 70.03 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1512 ' ' ALA . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.24 110.911 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' 1452 ' ' ILE . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.889 0.376 . . . . 64.13 110.907 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 54.25 111.132 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' 1510 ' ' LEU . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 51.12 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 62.23 111.135 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.654 HD11 ' SG ' ' A' 1513 ' ' CYS . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.53 111.101 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.05 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 72.03 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.94 HG22 HD23 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.54 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 51.13 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 43.25 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . 0.629 ' O ' HD23 ' A' 1482 ' ' LEU . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.94 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' 1480 ' ' LYS . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 62.15 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' 1473 ' ' VAL . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 53.4 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' 1472 ' ' ILE . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 63.33 111.173 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.579 HG23 ' HG ' ' A' 1471 ' ' LEU . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.31 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.02 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' 1467 ' ' VAL . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.921 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' 1465 ' ' HIS . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.519 ' HB3' HG21 ' A' 1467 ' ' VAL . 0.2 OUTLIER -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.895 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 72.15 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 22.1 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.506 ' CD1' HD21 ' A' 1517 ' ' LEU . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.092 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . 0.53 ' SG ' HD22 ' A' 1471 ' ' LEU . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' 1495 ' ' LYS . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1446 ' ' THR . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1492 ' ' ALA . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.473 ' HE1' HG23 ' A' 1489 ' ' ILE . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.889 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.23 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' 1503 ' ' VAL . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' 1501 ' ' ASN . 0.8 OUTLIER -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' 1504 ' ' ALA . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' 1503 ' ' VAL . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.14 111.105 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 55.32 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 64.41 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' 1512 ' ' ALA . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.602 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' 1452 ' ' ILE . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.866 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.602 ' HD3' HD23 ' A' 1510 ' ' LEU . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.89 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.25 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' 1489 ' ' ILE . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.095 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.569 HE22 ' ND2' ' A' 1453 ' ' ASN . 2.0 tt0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.91 0.386 . . . . 74.41 110.889 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' 1494 ' ' ASN . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.607 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 51.32 112.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.545 ' HA ' HD12 ' A' 1452 ' ' ILE . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.129 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' 1449 ' ' THR . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.141 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . 0.569 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 41.43 110.844 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.22 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.757 HG22 HD23 ' A' 1466 ' ' LEU . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.135 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 43.34 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . 0.494 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 50.14 112.497 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . 0.414 ' O ' HD23 ' A' 1482 ' ' LEU . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.872 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.757 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.951 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.757 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 53.44 111.158 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 64.51 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 52.34 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.432 HD21 HG21 ' A' 1473 ' ' VAL . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.432 HG21 HD21 ' A' 1471 ' ' LEU . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.42 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.879 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.421 ' CD2' HG21 ' A' 1452 ' ' ILE . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.494 HD21 ' HA2' ' A' 1460 ' ' GLY . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.917 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.757 ' HB2' HG21 ' A' 1467 ' ' VAL . 9.3 t-160 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.44 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.57 HG23 ' CD2' ' A' 1483 ' ' HIS . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 51.13 111.132 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.658 HG23 ' CE2' ' A' 1496 ' ' PHE . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.806 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 61.42 111.083 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . 0.806 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.658 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 31.14 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 63.41 110.879 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.2 112.388 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 34.2 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.741 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 64.35 110.887 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 34.55 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 71.15 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.741 ' HD3' HD23 ' A' 1510 ' ' LEU . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 61.13 110.918 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.681 HE21 HG23 ' A' 1449 ' ' THR . 17.1 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.923 0.392 . . . . 73.53 110.904 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 50.05 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.661 ' O ' HD11 ' A' 1510 ' ' LEU . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 63.32 112.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.782 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' 1449 ' ' THR . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . 0.452 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.86 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.783 HG23 HD23 ' A' 1466 ' ' LEU . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.12 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.11 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 33.44 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 40.53 112.464 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.473 ' HB3' HD22 ' A' 1482 ' ' LEU . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.783 HD23 HG23 ' A' 1456 ' ' THR . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 60.33 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' 1483 ' ' HIS . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.118 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.52 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' 1490 ' ' CYS . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.934 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.02 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.579 HD21 ' HA2' ' A' 1460 ' ' GLY . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 53.22 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.747 ' HB2' HG21 ' A' 1467 ' ' VAL . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.3 110.802 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.412 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.624 HG23 ' HE1' ' A' 1496 ' ' PHE . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' 1478 ' ' TYR . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' 1489 ' ' ILE . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' 1498 ' ' VAL . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 50.44 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' 1503 ' ' VAL . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.32 111.052 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 61.53 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 53.33 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' 1452 ' ' ILE . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 41.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.465 ' NE2' HG23 ' A' 1449 ' ' THR . 6.2 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.906 0.384 . . . . 73.35 110.887 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.711 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 71.51 111.125 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' 1446 ' ' THR . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 31.22 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.767 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.35 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' 1449 ' ' THR . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.141 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . 0.446 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.5 m-80 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 51.23 110.929 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' 1460 ' ' GLY . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.119 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.879 HG22 HD23 ' A' 1466 ' ' LEU . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 54.11 111.126 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' 1455 ' ' VAL . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 63.22 112.469 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.879 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.949 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' 1483 ' ' HIS . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.134 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.427 HD21 HG21 ' A' 1473 ' ' VAL . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.23 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.427 HG21 HD21 ' A' 1471 ' ' LEU . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 42.03 111.135 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.22 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.01 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.912 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.478 HD23 HG21 ' A' 1452 ' ' ILE . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.627 HD21 HG23 ' A' 1456 ' ' THR . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.33 110.921 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 73.22 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.55 ' CD1' HD21 ' A' 1517 ' ' LEU . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.798 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 63.05 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . 0.798 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 61.52 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' 1498 ' ' VAL . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.55 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 64.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' 1504 ' ' ALA . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 52.53 111.084 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' 1503 ' ' VAL . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 72.01 110.917 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 62.52 112.371 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.944 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 53.24 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.895 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' 1489 ' ' ILE . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.529 HE21 HG23 ' A' 1449 ' ' THR . 6.5 pt20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.913 0.387 . . . . 72.24 110.899 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 70.31 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 70.45 111.175 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.4 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.31 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.701 ' CG2' HD23 ' A' 1466 ' ' LEU . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.31 111.099 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.599 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 52.32 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.701 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' 1483 ' ' HIS . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 65.23 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.547 HD21 HG21 ' A' 1499 ' ' VAL . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' 1472 ' ' ILE . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.768 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 62.01 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.768 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' 1467 ' ' VAL . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.652 ' HB2' HG21 ' A' 1467 ' ' VAL . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 71.23 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' 1480 ' ' LYS . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.093 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.747 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.31 111.117 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.747 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.903 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . 0.547 HG21 HD21 ' A' 1471 ' ' LEU . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.164 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . 0.486 ' N ' HD22 ' A' 1501 ' ' ASN . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.521 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 52.43 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 65.14 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.645 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' 1452 ' ' ILE . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.645 ' NE ' HD23 ' A' 1510 ' ' LEU . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.925 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' 1461 ' ' TYR . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 60.02 111.141 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.516 HE21 HG23 ' A' 1449 ' ' THR . 10.8 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 73.03 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.483 ' OG1' HG22 ' A' 1449 ' ' THR . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.538 ' O ' HD11 ' A' 1510 ' ' LEU . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 55.13 112.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 54.22 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.43 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 51.42 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.724 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 65.44 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' 1517 ' ' LEU . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.724 HD23 ' CG2' ' A' 1456 ' ' THR . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.736 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 72.02 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . 0.784 HG12 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 52.1 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 71.22 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.784 ' HE2' HG12 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.736 ' HB2' HG21 ' A' 1467 ' ' VAL . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.13 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 71.45 110.906 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE2' ' A' 1496 ' ' PHE . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' 1489 ' ' ILE . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.02 111.134 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.441 ' HD2' HD12 ' A' 1505 ' ' LEU . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.895 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.8 m-80 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 54.11 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' 1512 ' ' ALA . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.866 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.538 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.65 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.439 ' HD2' HD23 ' A' 1510 ' ' LEU . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.33 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 54.21 111.157 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.704 HE21 HG23 ' A' 1449 ' ' THR . 4.9 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.917 0.389 . . . . 71.51 110.902 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.466 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.672 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.54 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.704 HG23 HE21 ' A' 1445 ' ' GLN . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.136 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.643 HD11 ' SG ' ' A' 1513 ' ' CYS . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 71.13 111.136 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' 1460 ' ' GLY . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.881 HG22 HD23 ' A' 1466 ' ' LEU . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 70.12 111.18 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 62.04 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 52.41 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 45.1 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . 0.619 ' O ' HG12 ' A' 1455 ' ' VAL . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.04 112.516 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' 1517 ' ' LEU . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.4 ' CE3' HG12 ' A' 1489 ' ' ILE . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.881 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.77 HG21 ' HB3' ' A' 1483 ' ' HIS . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.51 111.126 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 74.13 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 70.52 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' 1490 ' ' CYS . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 44.54 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 63.24 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' 1467 ' ' VAL . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 61.23 110.876 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 54.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' 1466 ' ' LEU . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.77 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 60.43 110.873 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.3 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.755 HG23 ' CE2' ' A' 1496 ' ' PHE . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . 0.441 ' SG ' HD22 ' A' 1471 ' ' LEU . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.796 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.5 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . 0.413 ' OD1' HG22 ' A' 1446 ' ' THR . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.875 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . 0.796 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.885 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.755 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' 1498 ' ' VAL . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.61 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.49 ' H ' ' ND2' ' A' 1501 ' ' ASN . 2.0 m-80 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.1 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 52.4 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' 1500 ' ' LYS . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 72.41 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 70.54 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' 1512 ' ' ALA . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.929 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.643 ' SG ' HD11 ' A' 1452 ' ' ILE . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.567 ' HD2' HD23 ' A' 1510 ' ' LEU . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' 1461 ' ' TYR . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.929 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.853 0.359 . . . . 74.2 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.526 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 64.31 111.16 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.526 ' HD2' HG22 ' A' 1446 ' ' THR . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' 1510 ' ' LEU . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' 1517 ' ' LEU . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.455 HG22 ' OG1' ' A' 1456 ' ' THR . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.747 ' CG2' HD23 ' A' 1466 ' ' LEU . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 54.41 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 45.22 110.875 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.747 HD23 ' CG2' ' A' 1456 ' ' THR . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 55.22 110.908 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.645 ' N ' HD22 ' A' 1466 ' ' LEU . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 41.03 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.891 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.62 ' HB3' HG11 ' A' 1467 ' ' VAL . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 62.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 32.1 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . 0.412 HG22 ' SG ' ' A' 1490 ' ' CYS . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.2 111.174 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' 1488 ' ' THR . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1446 ' ' THR . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 62.31 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 53.12 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 70.01 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1498 ' ' VAL . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.34 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.8 m-80 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 63.23 110.935 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1448 ' ' GLU . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 60.52 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.47 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' 1451 ' ' PHE . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 71.21 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 51.44 111.166 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.912 0.387 . . . . 75.44 110.916 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.465 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.465 ' HD2' HG22 ' A' 1446 ' ' THR . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.618 HD13 HD23 ' A' 1481 ' ' LEU . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.84 HG23 HD23 ' A' 1466 ' ' LEU . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 61.33 111.133 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.435 ' HE2' ' HG1' ' A' 1518 ' ' THR . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 65.03 110.989 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 63.15 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.415 ' HB3' ' HB3' ' A' 1482 ' ' LEU . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 70.02 110.939 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.84 HD23 HG23 ' A' 1456 ' ' THR . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 51.11 110.927 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' 1483 ' ' HIS . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.42 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 65.4 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' 1476 ' ' VAL . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' 1474 ' ' LYS . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 64.25 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' 1492 ' ' ALA . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . 0.618 HD23 HD13 ' A' 1452 ' ' ILE . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' 1464 ' ' TRP . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 61.13 110.924 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.679 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 60.32 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.666 HG23 ' CE2' ' A' 1496 ' ' PHE . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . 0.572 ' HE2' HD13 ' A' 1481 ' ' LEU . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . 0.412 ' HB2' ' CD1' ' A' 1478 ' ' TYR . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 64.04 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.666 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.792 HG11 ' CE1' ' A' 1516 ' ' TYR . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.902 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.897 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . 0.484 ' N ' HD22 ' A' 1501 ' ' ASN . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 43.43 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 70.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 63.03 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.469 ' HD2' HD23 ' A' 1510 ' ' LEU . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.792 ' CE1' HG11 ' A' 1498 ' ' VAL . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.651 ' H ' HD22 ' A' 1517 ' ' LEU . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . 0.435 ' HG1' ' HE2' ' A' 1461 ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.16 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1445 ' ' GLN . . . . . 0.718 HE21 HG23 ' A' 1449 ' ' THR . 4.6 pt20 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.856 0.36 . . . . 73.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1446 ' ' THR . . . . . 0.463 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 65.34 111.166 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1447 ' ' PRO . . . . . 0.692 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 65.01 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1449 ' ' THR . . . . . 0.718 HG23 HE21 ' A' 1445 ' ' GLN . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 55.41 111.093 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 64.54 111.137 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 51.34 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 61.23 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1456 ' ' THR . . . . . 0.846 HG22 HD23 ' A' 1466 ' ' LEU . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 63.04 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.34 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 64.4 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1461 ' ' TYR . . . . . 0.554 ' CD2' HD12 ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 62.12 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 62.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 53.11 110.885 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1464 ' ' TRP . . . . . 0.486 ' CD1' HD13 ' A' 1517 ' ' LEU . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1466 ' ' LEU . . . . . 0.846 HD23 HG22 ' A' 1456 ' ' THR . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1467 ' ' VAL . . . . . 0.759 ' N ' HD22 ' A' 1466 ' ' LEU . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.35 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 62.51 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 54.43 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 40.35 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1480 ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' 1467 ' ' VAL . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.55 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1482 ' ' LEU . . . . . 0.441 HD11 HG23 ' A' 1452 ' ' ILE . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1483 ' ' HIS . . . . . 0.664 ' HB2' HG21 ' A' 1467 ' ' VAL . 22.6 t-160 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.864 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1484 ' ' TRP . . . . . 0.409 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 50.35 110.927 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 71.52 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1489 ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' 1496 ' ' PHE . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 65.15 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1496 ' ' PHE . . . . . 0.616 ' HE1' HG23 ' A' 1489 ' ' ILE . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1498 ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 42.33 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1500 ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' 1505 ' ' LEU . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.2 p30 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 54.42 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 62.24 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1505 ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.34 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' 1512 ' ' ALA . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1510 ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1513 ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 51.31 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1514 ' ' ARG . . . . . 0.523 ' HD2' HD23 ' A' 1510 ' ' LEU . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.01 110.838 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.917 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' 1461 ' ' TYR . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 64.01 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.908 0.385 . . . . 74.24 110.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -110.61 -52.03 2.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 62.45 110.853 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.22 110.02 13.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 75.54 110.887 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -52.15 151.9 3.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 74.34 110.904 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.642 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -82.64 160.56 61.24 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.593 0.711 . . . . 71.14 111.109 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.531 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.619 2.212 . . . . 74.21 112.358 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.42 -49.01 63.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.891 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -86.46 1.36 51.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 64.22 111.143 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.87 -50.27 51.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 64.34 111.072 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -73.69 -19.9 60.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.258 -0.428 . . . . 70.13 110.887 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.598 HD11 ' SG ' ' A' 1513 ' ' CYS . 49.2 mt -86.11 -38.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 60.25 111.138 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.69 -45.12 48.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 62.52 110.9 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.49 -32.75 51.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 60.3 110.886 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.615 HG11 ' HA ' ' A' 1461 ' ' TYR . 14.6 t -89.65 -33.46 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.54 111.164 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 1.046 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.9 -18.78 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 53.52 111.109 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.27 0.45 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 64.24 110.827 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.9 -18.74 13.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 73.22 110.913 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.92 23.48 1.62 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 70.21 112.512 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 96.55 169.63 34.26 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.776 -0.726 . . . . 62.11 112.503 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.615 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -67.9 -169.59 0.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.929 0.395 . . . . 74.54 110.915 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -49.5 -70.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 64.01 110.835 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -90.96 -25.97 19.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 71.22 110.865 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.4 ' HA ' ' HB2' ' A' 1484 ' ' TRP . 51.1 m95 -77.68 134.17 38.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 65.41 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 58.4 m-70 -96.88 146.44 24.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 61.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 1.046 HD13 HG22 ' A' 1456 ' ' THR . 3.1 tp -67.91 128.87 38.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 44.44 110.909 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.691 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.6 m -149.53 -178.64 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.23 111.146 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 11.7 p 179.32 56.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 54.44 110.884 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -84.1 -13.89 73.29 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.507 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 63.84 107.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.885 0.374 . . . . 70.54 110.843 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.39 126.06 54.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.53 110.87 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 53.4 mt -104.87 126.42 59.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 63.22 111.127 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 77.1 t -149.85 135.2 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 63.54 111.149 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 28.24 13.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 74.31 110.897 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.89 21.72 10.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 55.21 110.9 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -122.23 79.92 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 73.23 111.148 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.2 t -45.74 110.43 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 60.31 110.895 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -97.61 162.3 13.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.927 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 11.3 mptt -108.63 116.31 31.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 62.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.582 ' O ' HG23 ' A' 1467 ' ' VAL . 0.2 OUTLIER -73.33 70.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 72.43 110.919 179.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.456 HD23 HG21 ' A' 1452 ' ' ILE . 12.9 tp -56.41 -49.2 75.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 71.14 110.882 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 88.9 mt -137.04 164.27 28.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 73.35 110.915 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.691 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -155.34 135.34 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.11 110.834 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 25.2 t90 -147.74 141.24 25.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 74.34 110.916 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.92 103.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 72.14 110.881 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.69 -34.07 3.25 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 55.12 112.481 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' 1488 ' ' THR . 0.2 OUTLIER -141.75 -176.32 4.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 64.44 110.943 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.411 ' HG1' ' C ' ' A' 1487 ' ' GLN . 7.0 m -161.0 120.47 2.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 75.02 111.168 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.615 HG23 ' CE1' ' A' 1496 ' ' PHE . 43.8 mm -82.85 106.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 52.12 111.183 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 22.5 m -127.93 105.25 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 41.22 110.903 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . 0.413 ' HE1' HD13 ' A' 1481 ' ' LEU . 40.8 p90 -99.18 152.51 19.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.1 110.95 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.55 -162.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.22 111.119 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -46.82 -37.72 9.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 52.45 110.822 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.642 ' HA ' HG21 ' A' 1446 ' ' THR . 0.2 OUTLIER -165.32 39.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 70.45 110.949 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -150.01 112.56 4.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 64.01 110.913 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.615 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.7 t80 -83.75 135.63 34.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 72.2 110.899 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -131.81 138.96 48.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.906 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -117.47 84.79 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 71.4 111.142 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 71.3 t -55.93 141.51 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 75.11 111.09 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.718 ' HD3' HD12 ' A' 1505 ' ' LEU . 1.2 mptm? -112.78 -165.73 1.02 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.33 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -45.97 -28.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 32.13 110.863 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . 0.451 ' N ' HD22 ' A' 1501 ' ' ASN . 0.7 OUTLIER 179.08 36.46 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 61.45 110.852 179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' 1504 ' ' ALA . 7.0 t -149.24 158.43 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.41 111.134 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.427 ' N ' HG12 ' A' 1503 ' ' VAL . . . -99.67 165.06 11.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 55.12 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.718 HD12 ' HD3' ' A' 1500 ' ' LYS . 3.3 mt -156.01 83.07 3.51 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.583 0.706 . . . . 75.32 110.92 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 119.26 6.24 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.705 2.27 . . . . 72.35 112.367 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.98 179.82 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 71.54 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.27 -41.18 2.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 51.12 110.862 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -151.73 170.12 20.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 65.01 110.866 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.531 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.87 -45.45 64.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 72.13 110.879 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -55.68 -26.36 44.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.858 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.18 53.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 62.3 111.081 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.598 ' SG ' HD11 ' A' 1452 ' ' ILE . 35.7 t -66.83 -42.2 86.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.42 110.906 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.414 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.2 mtp180 -65.38 -29.23 69.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.42 110.852 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.01 2.16 55.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 63.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.48 -8.45 23.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.916 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' 1461 ' ' TYR . 61.0 mt -115.88 -24.13 8.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 74.3 110.936 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.25 12.27 21.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.152 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.42 15.91 1.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 64.55 110.869 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -83.59 -29.9 27.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 72.22 110.878 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.0 154.5 35.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 51.13 111.106 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 72.53 111.107 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.918 0.389 . . . . 75.3 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 60.73 50.06 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.861 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -151.75 104.57 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.33 110.895 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.421 HE21 HG23 ' A' 1449 ' ' THR . 18.8 pt20 -87.58 -172.94 4.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 72.13 110.909 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.404 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.2 OUTLIER -89.95 159.55 42.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.611 0.719 . . . . 70.12 111.125 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.605 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.71 -27.25 26.94 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 72.44 112.369 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 20.1 mp0 -62.66 -54.15 43.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 74.42 110.882 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.778 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -87.77 2.68 50.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.123 -0.49 . . . . 74.2 111.125 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.48 -45.67 78.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 61.12 111.128 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.7 p90 -76.76 -26.44 54.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.2 110.89 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' 1449 ' ' THR . 27.9 mt -74.79 -47.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.086 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -49.55 -41.38 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 54.21 110.843 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -52.26 -29.67 24.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.91 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' 1461 ' ' TYR . 5.1 t -99.02 -35.95 5.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 54.32 111.089 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 1.008 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.28 -21.2 47.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 71.42 111.159 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.5 t -83.91 1.98 40.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 71.34 110.834 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 11.9 m-80 -113.71 -12.46 12.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 75.23 110.895 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.37 17.87 2.34 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 75.51 112.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 100.12 167.67 29.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 54.33 112.448 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.545 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -62.36 -170.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.922 0.392 . . . . 73.24 110.958 -179.875 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -51.73 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 63.13 110.854 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.47 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -90.51 -26.65 19.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 41.44 110.871 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 27.1 m95 -80.46 135.44 36.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 75.25 110.902 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -98.56 146.92 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 70.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 1.008 HD13 HG22 ' A' 1456 ' ' THR . 3.8 tp -68.21 122.72 18.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 72.12 110.939 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' 1480 ' ' LYS . 35.7 m -143.58 -176.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 70.31 111.106 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 12.7 p 179.5 48.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.44 110.88 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.88 -15.14 78.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.745 -0.74 . . . . 72.01 112.514 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 11.0 t70 64.26 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 75.44 110.859 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.45 126.69 55.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.253 -0.431 . . . . 62.33 110.912 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 51.9 mt -104.48 126.93 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.12 111.12 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 74.4 t -150.1 135.15 10.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 64.68 28.38 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 71.33 110.902 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.95 21.3 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 72.25 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.4 t -122.08 80.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 64.42 111.089 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.7 t -45.8 110.44 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 51.11 110.893 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -97.88 166.52 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 72.02 110.943 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 40.1 mmtt -113.66 114.13 25.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 64.1 110.887 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.722 ' O ' HG23 ' A' 1467 ' ' VAL . 24.2 mtpt -73.57 68.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.892 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.486 HD23 HG21 ' A' 1452 ' ' ILE . 15.9 tp -53.21 -47.09 69.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 62.33 110.935 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.576 HD21 HG23 ' A' 1456 ' ' THR . 81.6 mt -135.24 166.5 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 61.41 110.878 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.665 ' HB2' HG21 ' A' 1467 ' ' VAL . 14.4 t-160 -161.18 135.23 6.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.11 110.867 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.1 t90 -154.09 145.02 22.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.24 110.903 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.88 104.62 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 45.4 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.82 -44.61 1.18 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 35.11 112.526 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.02 176.75 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 74.32 110.887 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.619 HG23 ' CD2' ' A' 1483 ' ' HIS . 2.5 m -145.75 129.11 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 64.3 111.161 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.579 HG23 ' HE2' ' A' 1496 ' ' PHE . 44.7 mm -87.96 105.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 16.3 m -123.92 103.75 8.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 73.1 110.859 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.4 p90 -99.88 149.47 23.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.176 -0.465 . . . . 74.12 110.92 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -109.47 -163.18 0.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 74.24 111.088 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -36.97 12.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 72.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.62 39.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.452 . . . . 65.42 110.915 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -151.1 114.71 4.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.13 110.884 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.579 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.8 t80 -84.8 135.73 33.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.25 110.877 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -131.34 134.48 46.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.44 110.942 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -120.95 87.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 61.44 111.102 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.8 t -63.07 142.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 70.53 111.091 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -90.08 -88.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 73.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.56 -16.94 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.33 110.875 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -176.66 26.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.867 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 56.8 t -150.62 146.87 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.42 111.137 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.88 168.75 17.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.481 . . . . 70.22 111.123 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -155.25 87.52 3.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 72.51 110.874 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 122.54 9.23 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 75.31 112.341 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -177.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 73.35 110.894 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.77 -44.39 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 53.43 110.845 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -149.88 167.54 26.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.845 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.605 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -50.9 -45.66 60.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 61.12 110.883 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -55.08 -26.58 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 55.45 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.58 -43.22 49.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.43 111.085 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.678 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.7 t -67.07 -41.42 86.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 41.44 110.86 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.515 ' HD2' HD23 ' A' 1510 ' ' LEU . 4.4 mtp-105 -66.88 -31.78 72.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 63.42 110.88 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.72 1.65 48.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 74.44 111.105 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.5 -20.92 18.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 73.12 110.91 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' 1461 ' ' TYR . 21.3 mt -108.82 -5.87 16.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 72.44 110.896 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.74 5.46 11.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 74.4 111.144 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.1 5.49 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 72.22 110.856 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.53 -27.99 17.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 74.0 110.857 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.47 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -178.38 140.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 60.34 111.113 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 52.15 111.148 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.92 0.391 . . . . 70.24 110.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -98.3 44.97 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 75.24 110.863 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -134.41 30.48 3.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.902 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.562 HE21 HG23 ' A' 1449 ' ' THR . 16.8 pt20 -85.86 171.39 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 71.52 110.904 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.19 159.72 67.2 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.557 0.694 . . . . 64.35 111.185 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -36.45 10.79 Favored 'Trans proline' 0 C--O 1.231 0.126 0 C-N-CA 122.714 2.276 . . . . 71.45 112.365 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -55.3 -41.28 72.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 73.31 110.925 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.9 t -100.35 2.48 42.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 75.13 111.173 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.17 -39.47 86.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 65.42 111.125 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.9 p90 -81.45 -25.84 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 42.4 mt -73.46 -51.09 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 72.33 111.141 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -48.25 -38.19 17.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 53.44 110.902 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -50.94 -35.53 33.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 71.24 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.2 t -99.53 -29.47 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 53.43 111.134 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.823 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -58.26 -27.14 63.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.13 111.165 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.5 t -78.37 -8.6 58.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 75.41 110.847 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -96.17 -15.83 21.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 63.33 110.866 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.57 23.07 2.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.783 -0.722 . . . . 62.54 112.514 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.54 166.79 22.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 63.02 112.461 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.481 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.13 -167.42 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.909 0.385 . . . . 75.14 110.913 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -47.49 -65.01 0.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.858 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.617 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.6 OUTLIER -103.4 -26.95 12.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 70.52 110.876 -179.756 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 81.7 m95 -66.07 141.89 57.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.33 110.899 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 14.8 t60 -100.92 146.49 27.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.837 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.823 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -74.8 121.57 21.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 74.32 110.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.697 ' N ' HD22 ' A' 1466 ' ' LEU . 22.9 m -137.3 -173.64 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 74.11 111.124 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.5 p 175.72 63.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 72.52 110.846 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -95.39 -14.71 46.78 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 60.2 112.52 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.7 t70 63.34 107.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.901 0.381 . . . . 72.51 110.892 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.52 132.82 55.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 63.24 110.949 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -108.78 128.51 64.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 75.45 111.123 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 67.1 t -149.63 136.92 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 72.2 111.102 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.39 27.58 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 72.33 110.894 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.29 21.11 9.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 73.24 110.889 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 55.8 t -122.1 81.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 64.1 111.072 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -45.4 112.19 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 64.4 110.882 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 86.6 m-85 -97.05 171.37 8.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.24 110.913 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 8.0 mptt -118.01 111.06 18.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 72.43 110.899 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.583 ' O ' HG23 ' A' 1467 ' ' VAL . 28.4 mtpt -73.24 71.63 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 61.34 110.893 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.487 HD23 HG21 ' A' 1452 ' ' ILE . 17.4 tp -61.08 -50.88 71.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 63.44 110.88 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.17 156.17 45.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 62.41 110.931 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.613 ' HB3' HG11 ' A' 1467 ' ' VAL . 3.5 t-160 -160.95 119.64 2.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.902 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.3 t90 -138.45 151.52 47.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 29.1 t -44.23 105.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.864 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 135.42 -55.07 0.73 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 51.4 112.479 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -144.46 -176.42 5.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 44.35 110.903 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 20.2 m -149.3 131.11 15.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 71.13 111.131 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 48.7 mm -86.01 104.42 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 74.43 111.126 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 20.6 m -121.83 102.39 8.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.9 p90 -97.25 140.5 31.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 72.32 110.931 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.435 ' HB2' ' CE1' ' A' 1478 ' ' TYR . . . -92.25 -164.91 1.24 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 53.21 111.119 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.29 -47.61 36.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 63.25 110.837 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -146.61 43.36 1.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 73.32 110.906 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -151.48 165.52 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 62.42 110.914 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -131.86 132.58 43.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 72.25 110.911 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -136.72 135.99 38.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 71.2 110.935 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -112.61 85.52 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 63.13 111.118 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 74.2 t -56.62 141.92 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 64.04 111.109 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.403 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.36 -159.31 0.68 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 73.0 110.907 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' 1501 ' ' ASN . 2.2 m-80 -47.74 -30.75 4.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 72.2 110.915 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.67 34.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 72.43 110.847 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 8.8 t -146.4 155.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 62.34 111.15 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.17 169.15 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 64.32 111.055 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.403 HD12 ' HD2' ' A' 1500 ' ' LYS . 3.2 mt -159.7 82.62 2.35 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 72.44 110.895 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 122.4 9.09 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.672 2.248 . . . . 74.35 112.361 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.52 -179.22 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 73.5 110.885 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.74 -43.87 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 63.25 110.866 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 p30 -148.48 169.25 20.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 71.23 110.877 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.565 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.96 -45.61 60.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.13 110.91 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.46 -26.13 29.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 65.43 110.922 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.94 -39.99 41.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 74.51 111.074 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.493 ' SG ' HD11 ' A' 1452 ' ' ILE . 47.5 t -71.14 -40.53 71.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 74.45 110.866 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.565 ' NE ' HD23 ' A' 1510 ' ' LEU . 79.9 mtm180 -67.85 -31.19 70.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 73.32 110.88 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.2 1.84 53.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 60.5 111.137 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.22 -24.66 16.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 75.04 110.89 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' 1461 ' ' TYR . 18.1 mt -99.09 -5.62 29.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 52.14 110.931 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.7 m -116.71 1.12 12.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 72.33 111.181 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 6.7 t -117.68 -28.65 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.875 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.99 -55.19 29.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.484 . . . . 73.33 110.86 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.617 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -138.38 150.54 46.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.16 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.43 111.083 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.914 0.388 . . . . 73.12 110.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -115.88 -47.38 2.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.864 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.2 ttt -100.02 122.51 43.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 74.31 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.422 HE22 ' ND2' ' A' 1453 ' ' ASN . 5.4 tt0 -88.55 159.25 18.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 73.51 110.966 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.2 OUTLIER -69.27 159.34 83.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.572 0.701 . . . . 54.14 111.148 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.446 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.5 Cg_endo -69.8 -31.42 20.39 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.618 2.212 . . . . 54.05 112.354 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -58.62 -59.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.759 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.8 t -76.4 -4.05 40.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 74.04 111.154 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.11 -62.75 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 64.12 111.097 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.5 p90 -63.01 -27.67 69.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 60.5 110.852 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.759 HD12 ' HA ' ' A' 1449 ' ' THR . 51.9 mt -70.94 -49.54 49.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.129 -0.487 . . . . 54.41 111.128 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . 0.422 ' ND2' HE22 ' A' 1445 ' ' GLN . 0.9 OUTLIER -48.7 -39.01 23.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 70.33 110.892 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.9 t30 -50.64 -35.55 31.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.87 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 4.1 t -99.4 -25.9 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 73.4 111.121 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.794 HG22 HD23 ' A' 1466 ' ' LEU . 2.2 m -61.07 -33.18 72.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 72.11 111.14 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.3 t -73.07 -8.52 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 74.44 110.871 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -97.94 -11.24 23.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 72.51 110.901 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.03 16.84 3.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 45.52 112.451 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.64 170.83 23.64 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 64.25 112.511 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.61 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.31 -168.88 0.06 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 72.54 110.896 -179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -50.33 -70.9 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 74.14 110.873 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.18 -23.62 19.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 75.45 110.842 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.42 ' CE2' HD23 ' A' 1517 ' ' LEU . 30.1 m95 -77.53 138.87 39.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.131 -0.486 . . . . 63.24 110.892 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -99.8 162.51 12.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.888 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.794 HD23 HG22 ' A' 1456 ' ' THR . 1.1 tm? -84.16 119.4 24.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.919 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.701 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.2 m -141.09 -175.52 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 71.52 111.118 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 14.8 p -179.95 47.25 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 34.2 110.877 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.95 -12.71 79.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 65.54 112.511 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.9 t70 61.46 101.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.42 110.879 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.62 134.33 47.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.901 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 59.9 mt -111.12 128.26 67.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 64.34 111.113 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 96.3 t -150.38 134.22 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 63.42 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.6 28.1 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 72.21 110.906 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.6 22.14 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 75.15 110.857 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 28.2 t -120.44 81.35 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 74.35 111.15 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 61.4 m -45.01 108.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 61.22 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' 1492 ' ' ALA . 79.1 m-85 -95.75 168.25 10.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.91 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -115.1 114.11 24.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 55.22 110.901 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.531 ' O ' HG23 ' A' 1467 ' ' VAL . 32.4 mtpt -73.41 71.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.933 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 17.7 tp -55.95 -43.53 77.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 54.52 110.91 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 92.9 mt -139.98 166.52 24.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 73.12 110.891 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.701 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -162.52 135.14 5.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.855 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 21.2 t90 -152.49 146.13 25.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.899 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 8.3 t -50.13 103.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 72.34 110.841 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 131.07 -41.64 1.49 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 73.54 112.487 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . 0.457 HE21 ' N ' ' A' 1487 ' ' GLN . 0.0 OUTLIER -141.68 -176.69 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.855 0.36 . . . . 74.41 110.906 -179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.91 131.02 5.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.12 111.121 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.564 HG23 ' HE2' ' A' 1496 ' ' PHE . 43.8 mm -91.44 114.74 29.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 72.02 111.149 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 18.0 m -132.11 100.58 5.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 75.13 110.874 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.7 p90 -98.28 139.64 33.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.915 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.469 ' HB2' ' CE2' ' A' 1478 ' ' TYR . . . -92.13 -162.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 64.11 111.063 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -47.89 -47.85 31.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 61.41 110.888 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.646 ' HA ' HG21 ' A' 1446 ' ' THR . 0.3 OUTLIER -148.21 45.09 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.11 110.897 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -151.73 161.1 43.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.35 110.919 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.564 ' HE2' HG23 ' A' 1489 ' ' ILE . 5.6 t80 -126.23 134.06 51.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.849 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -135.95 132.31 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.01 110.888 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.27 88.87 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 62.4 111.157 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 79.4 t -65.05 142.49 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.107 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -90.91 -88.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 70.23 110.862 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.28 -17.08 5.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 62.13 110.883 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.3 26.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 62.24 110.843 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 59.3 t -150.63 140.55 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 70.3 111.131 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.45 168.34 19.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 62.33 111.052 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.654 HD22 ' OH ' ' A' 1516 ' ' TYR . 1.0 OUTLIER -152.96 86.44 4.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 71.33 110.951 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 122.42 9.12 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.69 2.26 . . . . 62.23 112.378 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.48 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.846 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.93 -44.59 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 61.54 110.867 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -146.26 167.83 22.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.32 110.853 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.47 -46.52 56.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 71.43 110.885 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.43 -27.54 48.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 74.2 110.858 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.06 -37.39 58.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 64.35 111.117 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.646 ' SG ' HD11 ' A' 1452 ' ' ILE . 50.2 t -68.61 -46.1 70.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 73.4 110.873 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 36.8 mtp180 -62.57 -34.33 76.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.895 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -85.63 2.73 43.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 44.05 111.087 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.654 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -99.56 -6.65 27.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 62.42 110.924 -179.831 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.61 HD13 ' CD2' ' A' 1461 ' ' TYR . 97.1 mt -109.42 -11.82 14.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.082 -0.508 . . . . 61.13 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.86 13.12 7.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 60.51 111.146 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.47 13.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.889 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.538 ' CZ ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -75.67 -24.99 56.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.489 . . . . 71.5 110.909 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.538 ' HB3' ' CZ ' ' A' 1520 ' ' ARG . . . -131.67 170.83 14.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 63.25 111.104 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 52.22 111.104 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.909 0.385 . . . . 72.31 110.847 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -141.01 28.61 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 75.31 110.889 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 39.4 ttp -142.9 95.11 2.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 74.43 110.892 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.515 ' NE2' HG23 ' A' 1449 ' ' THR . 5.6 tt0 -82.2 158.58 23.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 73.02 110.944 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.777 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.6 OUTLIER -68.41 159.3 81.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.584 0.707 . . . . 70.44 111.156 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.422 ' O ' ' HB3' ' A' 1450 ' ' ALA . 53.4 Cg_endo -69.81 -31.5 20.19 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 2.244 . . . . 62.32 112.303 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -57.79 -58.44 8.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 73.43 110.879 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.741 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.8 t -78.85 -2.73 41.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 74.13 111.147 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' 1447 ' ' PRO . . . -61.33 -62.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 64.25 111.049 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 11.4 p90 -62.94 -29.42 70.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.883 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' 1449 ' ' THR . 56.5 mt -68.35 -50.71 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 73.52 111.144 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . 0.428 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.65 -39.21 23.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.44 110.898 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.01 -35.62 34.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.904 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.9 t -99.17 -25.87 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 72.31 111.119 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.7 m -60.71 -33.54 73.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 70.32 111.158 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 12.3 t -72.52 -8.91 57.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.869 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -97.65 -12.36 22.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.865 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.02 19.83 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 74.13 112.495 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.88 174.69 26.73 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.487 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.403 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -71.35 -170.61 0.51 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.912 0.386 . . . . 73.52 110.905 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -51.32 -70.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 70.12 110.839 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.8 -24.62 21.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 75.35 110.849 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 41.7 m95 -81.48 137.48 35.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 74.12 110.894 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -99.37 165.46 11.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 62.23 110.856 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.64 119.47 24.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 72.14 110.915 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' 1483 ' ' HIS . 24.9 m -138.19 -179.03 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 72.42 111.137 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 13.4 p 179.83 55.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 71.02 110.84 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -81.52 -14.94 77.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 73.51 112.512 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.58 103.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 42.22 110.831 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.86 126.26 53.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 64.43 110.926 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 52.9 mt -103.73 123.73 57.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 74.24 111.132 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 59.8 t -146.34 136.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.34 111.133 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.59 28.33 13.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.42 110.917 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.55 20.96 10.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 64.14 110.91 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.1 t -122.55 81.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.168 -0.469 . . . . 71.15 111.128 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -45.95 112.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.906 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -99.66 160.05 14.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.435 . . . . 73.42 110.946 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -106.52 116.96 32.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 72.54 110.889 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.567 ' O ' HG23 ' A' 1467 ' ' VAL . 1.0 OUTLIER -74.03 72.05 1.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 71.23 110.877 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 15.0 tp -57.64 -52.43 65.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 65.5 110.906 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 82.7 mt -132.57 162.84 30.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 73.5 110.938 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.704 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.6 t60 -155.89 135.35 12.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 64.52 110.865 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.4 t90 -151.93 141.47 21.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 71.32 110.941 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.69 108.07 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.41 110.848 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.41 -42.74 1.4 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.734 . . . . 64.15 112.468 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.52 -176.03 4.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.37 . . . . 53.25 110.905 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.4 HG23 ' ND1' ' A' 1483 ' ' HIS . 3.9 m -155.99 124.41 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 74.55 111.172 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -83.21 105.48 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 44.53 111.138 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 21.9 m -124.33 101.75 7.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 52.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 25.9 p90 -97.98 141.68 30.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 74.22 110.924 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.89 -162.95 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 73.21 111.085 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.99 -49.54 30.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 70.53 110.875 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.777 ' HA ' HG21 ' A' 1446 ' ' THR . 0.4 OUTLIER -146.49 45.15 1.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 54.24 110.891 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -152.29 161.34 42.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.2 110.897 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE1' HG23 ' A' 1489 ' ' ILE . 4.2 t80 -125.93 128.73 48.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 71.33 110.872 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -132.25 129.78 40.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.5 . . . . 74.15 110.937 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -115.93 89.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.133 -0.485 . . . . 74.23 111.073 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 77.3 t -62.87 141.29 18.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 60.34 111.114 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.95 -87.81 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 65.45 110.941 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -17.35 5.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 54.41 110.935 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -176.3 25.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 70.02 110.821 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 61.6 t -150.81 143.25 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 71.21 111.157 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -79.91 169.97 17.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 71.41 111.067 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.88 87.0 3.4 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.65 0.738 . . . . 42.05 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 121.82 8.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.681 2.254 . . . . 72.41 112.321 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -177.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 61.31 110.858 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.12 -42.85 2.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 72.23 110.895 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -150.23 167.67 26.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.14 110.854 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.526 HD23 ' CD ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -50.95 -45.28 60.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 65.24 110.925 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.39 -26.92 44.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 72.41 110.902 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -75.0 -41.48 59.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 64.41 111.078 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.655 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.1 t -68.55 -45.29 72.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.856 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.526 ' CD ' HD23 ' A' 1510 ' ' LEU . 53.4 mtp85 -61.51 -36.52 80.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.851 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -80.64 -8.33 59.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 72.02 111.11 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.95 -4.59 57.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 73.02 110.878 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.403 HD13 ' CD1' ' A' 1461 ' ' TYR . 81.8 mt -121.9 -6.74 9.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 64.12 110.925 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.14 12.36 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 71.42 111.149 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.74 20.15 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 53.41 110.838 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.539 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -92.05 -22.09 20.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 74.51 110.891 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.539 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -105.78 130.85 53.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 72.25 111.07 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 61.23 111.117 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 71.54 110.845 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 59.32 58.95 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 73.15 110.893 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.7 ttm -172.66 72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.877 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.92 163.76 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 64.32 110.914 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.558 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.1 OUTLIER -85.46 160.26 54.22 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 60.44 111.149 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.585 ' O ' HD11 ' A' 1510 ' ' LEU . 54.4 Cg_endo -69.73 -30.69 21.99 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.687 2.258 . . . . 74.23 112.389 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.3 mp0 -65.04 -49.48 69.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 74.02 110.931 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.1 t -86.4 -1.99 58.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 64.31 111.168 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -63.12 -51.23 67.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 73.15 111.09 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.1 p90 -72.31 -27.23 62.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 72.42 110.888 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 44.4 mt -72.53 -50.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 71.21 111.161 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.92 -38.64 23.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 34.23 110.871 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -51.04 -35.73 36.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 64.12 110.89 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -99.5 -25.91 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 73.13 111.126 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.717 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.8 m -61.25 -33.7 73.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 74.42 111.136 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.7 t -71.79 -9.63 58.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 62.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -96.83 -13.28 22.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 64.22 110.84 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.42 20.97 2.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.754 -0.736 . . . . 55.11 112.492 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.32 167.16 25.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.756 -0.735 . . . . 65.23 112.471 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.59 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.99 -168.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.39 . . . . 72.42 110.929 -179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -49.97 -70.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 72.02 110.86 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.55 -22.05 18.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.857 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.469 ' CE2' HD23 ' A' 1517 ' ' LEU . 27.6 m95 -78.68 129.69 35.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 72.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -92.8 159.54 15.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 71.45 110.83 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.717 HD23 ' CG2' ' A' 1456 ' ' THR . 1.3 tm? -80.78 116.66 20.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 60.32 110.905 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.653 HG21 ' HB2' ' A' 1483 ' ' HIS . 33.7 m -133.81 -174.98 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 74.3 111.132 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 8.4 p 178.21 41.5 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 62.41 110.857 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -66.19 -15.8 63.68 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 40.23 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 35.7 t0 64.07 109.73 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.54 110.871 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.1 121.86 42.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 63.54 110.896 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 47.8 mt -100.94 123.6 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 72.32 111.126 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 51.1 t -145.31 138.86 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 64.42 111.156 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 27.67 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 60.25 110.874 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 66.69 20.07 10.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 71.32 110.863 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 61.2 t -121.53 81.42 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.12 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.36 111.27 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 54.34 110.924 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -92.92 -175.22 3.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 71.11 110.889 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.44 113.18 12.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.89 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' 1467 ' ' VAL . 13.0 mtmm -71.17 72.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 73.21 110.858 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.441 HD23 HG21 ' A' 1452 ' ' ILE . 17.5 tp -59.36 -43.85 92.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 71.35 110.93 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 83.2 mt -140.0 171.38 14.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.965 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.653 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.0 t60 -171.65 139.61 1.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 73.41 110.875 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 28.5 t90 -161.98 127.51 3.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 62.22 110.947 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.1 t 62.04 -86.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.21 110.841 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -133.11 -23.84 0.74 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 53.02 112.505 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.58 115.18 13.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 52.23 110.92 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 1.3 m -107.93 110.03 21.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 74.11 111.165 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.693 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.2 mm -72.54 95.1 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 74.22 111.156 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 7.9 m -112.4 105.11 13.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 54.31 110.847 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.5 p90 -100.66 139.74 35.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 61.25 110.952 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -93.27 -161.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 75.35 111.121 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -46.07 -52.11 12.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 74.34 110.921 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.558 ' HA ' HG21 ' A' 1446 ' ' THR . 0.5 OUTLIER -145.15 39.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 74.15 110.883 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 5.9 mttp -144.24 164.59 30.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 75.31 110.872 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.693 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -131.8 131.55 43.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 73.2 110.862 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -133.54 137.5 45.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 73.44 110.912 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' 1498 ' ' VAL . 2.5 p -117.09 88.05 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 73.22 111.132 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.8 t -60.28 141.9 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.32 111.155 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -112.8 -159.59 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.914 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.6 p30 -46.52 -32.3 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 75.25 110.854 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.31 35.76 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.436 . . . . 75.42 110.869 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 22.0 t -147.52 150.81 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 64.13 111.118 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -92.52 169.77 10.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 70.51 111.079 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 3.2 mt -160.14 82.13 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 74.4 110.915 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 121.53 8.22 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.666 2.244 . . . . 63.24 112.353 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.53 179.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 64.24 110.852 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.9 m -122.29 -39.83 2.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 72.32 110.862 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.7 OUTLIER -155.13 170.14 22.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 60.13 110.854 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.585 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.3 -45.81 62.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 65.13 110.905 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -54.94 -28.39 50.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 71.3 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.34 -45.52 62.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 32.33 111.132 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.66 ' SG ' HD11 ' A' 1452 ' ' ILE . 13.8 t -63.71 -45.73 88.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 64.32 110.901 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -63.51 -31.08 72.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 75.32 110.861 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.88 1.22 57.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 34.1 111.081 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.73 -13.58 22.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 73.31 110.888 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.59 HD13 ' CD2' ' A' 1461 ' ' TYR . 75.4 mt -108.59 -5.27 16.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 72.43 110.891 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.23 8.01 5.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 75.12 111.144 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.68 15.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.842 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -70.07 -23.93 63.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.11 110.885 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.426 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -111.44 152.36 27.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 72.24 111.097 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.14 111.099 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 34.8 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.901 0.381 . . . . 72.01 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -128.63 29.14 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 74.45 110.884 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 5.9 ttm -159.96 88.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 62.01 110.894 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.458 HE21 HG23 ' A' 1449 ' ' THR . 13.9 pt20 -80.76 -175.04 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 71.04 110.925 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.563 ' O ' ' HB2' ' A' 1450 ' ' ALA . 0.6 OUTLIER -87.76 159.59 48.85 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 72.43 111.14 -179.903 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.668 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.77 -29.34 23.97 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.718 2.278 . . . . 64.12 112.306 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -66.14 -54.06 30.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 62.3 110.887 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.743 ' HA ' HD12 ' A' 1452 ' ' ILE . 6.3 t -84.47 -2.12 56.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 71.44 111.174 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -63.19 -55.43 25.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.074 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.8 p90 -68.08 -28.41 67.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 71.24 110.884 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' 1449 ' ' THR . 50.8 mt -70.55 -50.78 42.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 61.52 111.097 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -49.09 -35.34 15.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 65.31 110.85 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.4 t30 -54.74 -34.4 62.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.867 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1460 ' ' GLY . 2.1 t -99.9 -29.59 3.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 75.44 111.178 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.831 HG22 HD23 ' A' 1466 ' ' LEU . 1.3 m -59.08 -22.7 61.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 72.31 111.169 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 5.8 t -90.54 -3.45 57.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 74.01 110.825 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -96.29 -14.85 22.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.872 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.73 19.82 2.44 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 31.34 112.511 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . 0.642 ' O ' HG12 ' A' 1455 ' ' VAL . . . 121.53 -169.74 14.61 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.772 -0.728 . . . . 72.45 112.503 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 2.0 t80 -119.24 82.11 1.82 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 72.43 110.894 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 65.53 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 62.44 110.827 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.33 -40.2 8.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.866 -179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.734 ' CB ' HD22 ' A' 1482 ' ' LEU . 68.2 m95 -59.44 139.02 57.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.116 -0.493 . . . . 73.24 110.881 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . 0.716 ' O ' HD23 ' A' 1482 ' ' LEU . 9.2 m-70 -88.09 145.72 25.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.41 110.872 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.831 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -75.62 120.62 21.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 64.4 110.934 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' 1480 ' ' LYS . 27.1 m -143.01 -172.98 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 64.22 111.13 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 28.4 p -176.37 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.864 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -72.46 -103.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 72.01 112.484 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 179.03 163.34 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.887 0.375 . . . . 73.23 110.861 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.431 ' HG ' HG23 ' A' 1473 ' ' VAL . 7.4 tp -161.25 96.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 55.44 110.927 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 42.5 mt -91.78 89.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 61.34 111.151 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.431 HG23 ' HG ' ' A' 1471 ' ' LEU . 96.6 t -114.78 135.36 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 64.14 111.1 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.54 27.58 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 71.23 110.892 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.01 21.94 8.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 63.4 110.878 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 41.1 t -121.38 82.72 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.101 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.8 p -45.02 113.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 53.24 110.891 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -103.18 169.93 8.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 73.32 110.895 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 117.57 30.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 75.22 110.882 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.785 ' O ' HG23 ' A' 1467 ' ' VAL . 2.0 mtmt -73.1 71.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 73.12 110.879 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.449 HD23 HG21 ' A' 1452 ' ' ILE . 18.7 tp -61.81 -38.18 87.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 73.13 110.92 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.734 HD22 ' CB ' ' A' 1464 ' ' TRP . 3.9 mt -142.12 151.86 42.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 75.02 110.881 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.54 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.2 t60 -142.87 132.73 24.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 51.24 110.853 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 12.0 t90 -139.33 147.89 42.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.901 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.0 m -58.14 95.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.864 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 133.75 -32.32 2.71 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 52.21 112.46 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -140.65 -176.03 4.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.881 0.372 . . . . 73.44 110.905 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 9.2 m -155.8 121.16 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 71.03 111.173 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' 1496 ' ' PHE . 40.1 mm -79.92 114.77 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 60.45 111.13 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.93 112.62 13.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.889 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 18.7 p90 -111.65 144.69 40.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.94 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.11 -163.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.094 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . 0.448 ' O ' HG21 ' A' 1446 ' ' THR . 5.1 t0 -47.22 -37.65 10.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 64.15 110.899 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' 1446 ' ' THR . 0.5 OUTLIER -164.74 38.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 74.42 110.915 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 17.7 mmtt -148.18 112.29 5.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 73.12 110.905 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.654 ' HE2' HG23 ' A' 1489 ' ' ILE . 9.2 t80 -85.44 145.27 27.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.823 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -140.59 138.38 34.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 71.15 110.916 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.499 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -119.17 87.37 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 74.5 111.16 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' 1503 ' ' VAL . 42.1 t -73.05 136.14 26.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.125 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.676 ' HB2' HG12 ' A' 1503 ' ' VAL . 17.4 mtpt -98.22 -159.22 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.526 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.2 m-80 -51.11 -27.63 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 73.1 110.901 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -176.18 54.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 52.11 110.903 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.676 HG12 ' HB2' ' A' 1500 ' ' LYS . 2.8 p -166.73 165.89 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.146 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.461 ' H ' HG22 ' A' 1503 ' ' VAL . . . -114.61 170.82 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 64.31 111.105 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.561 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.0 mt -162.62 85.56 1.47 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.576 0.703 . . . . 75.52 110.904 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.15 6.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.659 2.239 . . . . 71.01 112.369 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.39 177.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 2.9 t -122.31 -41.75 2.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 73.34 110.84 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' 1512 ' ' ALA . 0.4 OUTLIER -148.16 168.72 21.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.54 110.88 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.668 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.8 -45.7 63.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 54.55 110.896 -179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.25 -25.51 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 72.12 110.872 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.93 -40.54 53.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 74.35 111.137 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.665 ' SG ' HD11 ' A' 1452 ' ' ILE . 34.1 t -68.85 -43.25 75.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 62.21 110.864 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.614 ' NE ' HD23 ' A' 1510 ' ' LEU . 73.7 mtm180 -62.05 -28.51 69.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 55.14 110.877 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.59 2.98 55.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 74.1 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.561 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.06 -17.98 18.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 71.02 110.936 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.509 HD21 ' CD1' ' A' 1489 ' ' ILE . 18.0 mt -116.24 -7.81 11.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 73.43 110.888 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.4 m -117.58 -0.7 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 70.53 111.125 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.11 3.21 4.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.82 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 5.9 tpt180 -77.91 -33.09 51.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 71.45 110.878 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -114.52 129.15 56.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 44.42 111.128 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 53.44 111.123 179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.889 0.376 . . . . 50.11 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -103.77 89.78 3.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 73.01 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 72.29 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 64.41 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -118.34 166.53 12.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.2 110.918 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.489 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -74.65 159.62 82.86 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.584 0.707 . . . . 74.13 111.146 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.591 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -31.31 20.73 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.715 2.277 . . . . 62.13 112.338 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.69 -53.46 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.87 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -81.46 0.7 36.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.128 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.94 -55.63 13.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 53.31 111.1 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 10.2 p90 -69.39 -25.74 64.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.43 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.635 HD11 ' SG ' ' A' 1513 ' ' CYS . 50.8 mt -75.59 -47.65 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 61.11 111.148 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.96 -40.33 21.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 54.35 110.857 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.24 -35.97 29.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.896 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 6.8 t -98.74 -26.89 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.14 111.08 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.759 HG22 HD23 ' A' 1466 ' ' LEU . 1.9 m -60.19 -28.77 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -78.09 -7.59 57.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.901 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -98.52 -12.54 21.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.891 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.55 10.17 5.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.716 -0.754 . . . . 65.13 112.488 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 110.2 168.05 19.65 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 41.43 112.547 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.62 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -63.76 -169.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 72.53 110.962 -179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -48.6 -66.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 72.13 110.864 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.79 -26.86 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 71.43 110.839 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.566 ' CE2' HD23 ' A' 1517 ' ' LEU . 34.8 m95 -71.73 133.08 45.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 72.2 110.924 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 30.2 m-70 -96.39 160.15 14.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.904 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.759 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -85.32 119.27 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 110.921 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.66 ' N ' HD22 ' A' 1466 ' ' LEU . 5.4 m -144.25 -170.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 70.35 111.149 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.47 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 74.21 110.844 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.08 -15.94 51.58 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.772 -0.728 . . . . 54.22 112.504 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 63.36 107.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 61.35 110.854 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.48 HD21 HG21 ' A' 1473 ' ' VAL . 0.3 OUTLIER -110.21 123.1 49.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.945 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 54.5 mt -99.56 122.87 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.04 111.173 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.48 HG21 HD21 ' A' 1471 ' ' LEU . 53.0 t -145.9 136.96 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.35 111.142 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.62 28.14 13.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.15 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.46 20.4 10.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.27 -0.423 . . . . 65.01 110.879 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.16 81.32 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 75.04 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.4 p -46.51 111.66 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 64.03 110.862 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -95.23 -178.81 4.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.913 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.46 111.25 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.858 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 10.8 mtmm -70.92 75.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.43 110.893 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.48 -42.77 83.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 71.54 110.913 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 52.2 mt -139.37 157.66 45.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 64.43 110.889 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -151.16 119.24 6.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 74.14 110.82 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.5 ' CZ3' ' HD3' ' A' 1520 ' ' ARG . 10.2 t90 -100.61 -79.47 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 73.54 110.939 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.9 -60.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 50.43 110.84 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -87.5 -7.16 76.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.795 -0.717 . . . . 71.32 112.476 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -141.5 -179.93 6.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 63.53 110.887 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 2.9 m -161.83 133.94 5.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 75.15 111.141 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.664 HG23 ' CE2' ' A' 1496 ' ' PHE . 47.9 mm -89.91 99.9 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 65.02 111.131 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -116.25 101.11 8.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 62.03 110.863 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 33.1 p90 -96.9 150.02 21.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 64.43 110.909 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -108.75 -161.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 53.33 111.106 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -46.82 -34.71 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.24 110.904 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -170.34 40.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 71.21 110.918 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 11.3 mmtm -151.25 116.59 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 54.13 110.92 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.664 ' CE2' HG23 ' A' 1489 ' ' ILE . 5.5 t80 -82.8 137.98 34.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 73.03 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -134.96 138.03 43.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.23 110.874 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.4 p -116.72 92.54 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 60.11 111.14 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 69.0 t -68.56 143.89 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 24.54 111.111 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -113.31 -158.68 0.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.53 110.898 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.3 p30 -46.29 -32.82 3.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 64.55 110.888 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -179.18 36.55 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 53.12 110.853 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 42.3 t -148.55 148.18 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 73.42 111.114 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.98 170.11 10.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.121 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 2.1 mt -161.78 86.23 1.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.591 0.71 . . . . 73.12 110.887 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 119.62 6.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.25 . . . . 74.42 112.312 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.86 177.01 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 64.41 110.851 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.04 -38.58 2.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.833 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -151.67 168.83 23.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 72.31 110.881 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.591 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -52.04 -44.78 64.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 50.44 110.876 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -25.53 57.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 61.41 110.929 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.09 -40.64 52.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 62.25 111.121 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.635 ' SG ' HD11 ' A' 1452 ' ' ILE . 42.8 t -67.22 -39.94 86.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 54.12 110.873 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.579 ' HD2' HD23 ' A' 1510 ' ' LEU . 26.0 mtp180 -69.55 -31.64 69.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 71.54 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -83.67 3.82 31.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 73.43 111.106 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.403 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.3 OUTLIER -103.47 0.68 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.24 110.889 -179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.62 HD13 ' CD2' ' A' 1461 ' ' TYR . 43.8 mt -118.7 -10.78 9.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 72.22 110.933 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.74 -7.44 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 71.55 111.098 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.43 -11.29 7.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 62.24 110.882 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.5 ' HD3' ' CZ3' ' A' 1484 ' ' TRP . 0.0 OUTLIER -50.52 -25.68 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.15 110.862 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.433 ' HB3' ' HE ' ' A' 1520 ' ' ARG . . . -133.67 100.05 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 54.14 111.086 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.092 179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.886 0.374 . . . . 52.41 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -130.97 -60.05 0.98 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 75.22 110.862 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpp? 55.41 63.54 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 54.24 110.893 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -51.99 156.64 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 55.31 110.871 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -88.69 160.23 44.73 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.641 0.734 . . . . 65.15 111.105 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.549 ' O ' HD11 ' A' 1510 ' ' LEU . 53.7 Cg_endo -69.75 -27.53 26.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 75.14 112.335 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 22.7 mp0 -64.95 -34.23 77.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.21 110.874 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 8.3 t -105.62 0.31 26.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 70.41 111.102 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.55 -36.95 85.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 52.25 111.105 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . 0.407 ' HE1' ' HH ' ' A' 1461 ' ' TYR . 7.9 p90 -82.2 -24.25 35.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.35 110.856 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 36.7 mt -76.54 -51.48 19.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 72.31 111.141 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -47.38 -38.82 13.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 70.42 110.89 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -50.55 -36.86 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 74.24 110.852 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -98.73 -28.11 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 73.23 111.121 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.865 HG22 HD23 ' A' 1466 ' ' LEU . 1.4 m -59.07 -24.74 63.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 74.21 111.137 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.5 t -86.57 -6.15 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 61.33 110.879 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -96.37 -15.04 22.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 61.02 110.85 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.15 22.77 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 53.3 112.485 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 103.34 165.55 25.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 41.42 112.504 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.407 ' HH ' ' HE1' ' A' 1451 ' ' PHE . 0.2 OUTLIER -68.37 -168.1 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.971 0.415 . . . . 71.31 110.9 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -47.07 -63.25 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 50.2 110.842 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 14.6 m -104.64 -29.37 10.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 73.42 110.866 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.489 ' CE2' HD23 ' A' 1517 ' ' LEU . 56.2 m95 -66.38 141.27 58.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.093 -0.503 . . . . 73.3 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . 0.534 ' O ' HD23 ' A' 1482 ' ' LEU . 0.8 OUTLIER -93.03 163.57 13.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 73.32 110.866 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.865 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -87.53 122.35 31.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 71.32 110.939 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.709 ' N ' HD22 ' A' 1466 ' ' LEU . 16.5 m -145.76 -175.25 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 54.3 111.089 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 16.3 p -177.89 34.2 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 74.34 110.873 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -70.18 -102.87 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.719 -0.753 . . . . 41.22 112.492 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 162.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 72.44 110.878 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 6.9 tp -159.87 97.15 1.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.02 110.855 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 46.7 mt -92.12 89.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 63.33 111.147 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 93.1 t -115.27 135.65 54.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 62.25 111.152 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.63 27.58 14.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 75.01 110.899 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.98 21.84 8.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 54.33 110.843 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 56.8 t -121.3 82.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 63.15 111.158 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.7 p -45.3 113.26 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 62.52 110.854 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -103.24 175.58 5.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 73.55 110.918 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.2 mttp -120.72 116.4 25.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 74.35 110.886 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.692 ' O ' HG23 ' A' 1467 ' ' VAL . 26.3 mtmt -72.07 72.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 74.42 110.943 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.4 tp -61.85 -41.17 97.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 44.23 110.938 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' 1465 ' ' HIS . 9.9 mt -142.64 153.02 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 62.02 110.889 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.572 ' HB3' HG21 ' A' 1467 ' ' VAL . 0.2 OUTLIER -142.21 141.93 32.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.53 110.831 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.423 ' CG ' ' O ' ' A' 1484 ' ' TRP . 12.8 t90 -143.89 37.53 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.444 . . . . 74.14 110.934 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 5.2 t 59.88 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 73.43 110.879 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -47.11 -32.37 6.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 62.41 112.544 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -136.75 163.63 30.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 71.11 110.915 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 22.6 m -142.86 117.37 9.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 72.11 111.136 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.638 HG23 ' HE2' ' A' 1496 ' ' PHE . 45.0 mm -76.11 113.8 15.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 63.32 111.122 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -129.05 112.08 13.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.837 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 26.9 p90 -110.89 140.74 45.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 64.44 110.932 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -95.19 -161.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.13 111.131 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.08 -52.86 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 63.44 110.908 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -144.53 40.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 61.03 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -145.42 163.42 34.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 45.3 110.888 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.638 ' HE2' HG23 ' A' 1489 ' ' ILE . 7.5 t80 -130.26 139.58 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 74.31 110.87 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -140.36 135.55 32.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.5 . . . . 75.12 110.912 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' 1498 ' ' VAL . 2.3 p -118.15 88.36 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 65.13 111.124 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 97.4 t -70.46 144.54 13.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 64.4 111.129 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.464 ' HD3' HD12 ' A' 1505 ' ' LEU . 10.8 mmmm -97.16 -79.85 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.908 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.47 -25.14 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 43.34 110.881 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.3 t0 -170.38 23.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 72.15 110.884 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.4 t -145.62 127.91 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 61.13 111.14 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -76.94 165.84 24.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 62.41 111.108 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.464 HD12 ' HD3' ' A' 1500 ' ' LYS . 4.0 mt -147.28 85.88 6.66 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.648 0.737 . . . . 54.1 110.925 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 121.73 8.42 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.639 2.226 . . . . 73.53 112.35 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -176.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 72.54 110.834 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.1 t -123.1 -44.34 2.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.113 -0.494 . . . . 64.23 110.843 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -149.32 170.16 19.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.101 -0.499 . . . . 74.53 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.623 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.76 -46.44 59.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.926 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.24 -26.26 27.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 71.13 110.916 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -77.96 -40.63 38.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 41.42 111.117 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.491 ' SG ' HD11 ' A' 1452 ' ' ILE . 40.0 t -70.36 -39.19 74.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 74.05 110.851 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.623 ' HD3' HD23 ' A' 1510 ' ' LEU . 66.4 mtp180 -67.75 -29.29 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 64.14 110.853 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -88.21 3.54 48.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 71.24 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.39 -17.59 18.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 65.5 110.935 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.489 HD23 ' CE2' ' A' 1464 ' ' TRP . 13.7 mt -117.24 -11.81 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.931 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 5.4 m -105.77 -20.46 13.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.42 111.16 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 1.9 t -99.33 -35.03 10.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 62.1 110.917 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -51.96 -30.07 23.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.091 -0.504 . . . . 71.15 110.857 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -177.69 115.85 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 42.43 111.097 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 73.4 111.053 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.918 0.39 . . . . 71.34 110.884 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -121.81 -49.4 2.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 71.41 110.841 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 3.0 tpt 72.31 -69.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 73.02 110.91 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.711 HE21 HG23 ' A' 1449 ' ' THR . 4.8 pt20 44.05 -163.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.52 110.946 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.44 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.83 161.03 44.28 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.528 0.68 . . . . 60.1 111.187 -179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.564 ' O ' HD11 ' A' 1510 ' ' LEU . 53.8 Cg_endo -69.78 -25.1 28.85 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.61 2.206 . . . . 73.45 112.382 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -70.74 -35.92 72.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 44.32 110.86 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.711 HG23 HE21 ' A' 1445 ' ' GLN . 3.8 t -100.42 0.21 39.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 43.43 111.14 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.35 80.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 74.32 111.147 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.2 p90 -73.95 -20.91 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 73.34 110.869 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.64 HD11 ' SG ' ' A' 1513 ' ' CYS . 47.1 mt -83.85 -46.2 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.32 111.137 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.14 -37.59 22.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 75.44 110.879 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -56.59 -35.9 68.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 71.12 110.854 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.612 HG11 ' HA ' ' A' 1461 ' ' TYR . 11.8 t -91.62 -31.05 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 51.04 111.105 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 1.042 HG22 HD13 ' A' 1466 ' ' LEU . 0.2 OUTLIER -59.52 -18.93 44.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 61.2 111.153 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 1.2 t -91.42 0.45 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.34 110.843 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -106.24 -17.18 14.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 70.53 110.911 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 125.79 17.82 2.5 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 64.11 112.517 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.31 164.75 23.73 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.706 -0.759 . . . . 74.44 112.464 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.612 ' HA ' HG11 ' A' 1455 ' ' VAL . 0.2 OUTLIER -65.12 -170.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.92 0.39 . . . . 73.41 110.923 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -51.21 -72.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 64.41 110.9 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.69 -20.88 23.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 72.51 110.872 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' 1461 ' ' TYR . 47.5 m95 -85.35 139.34 31.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 75.05 110.93 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -98.27 154.0 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 75.11 110.821 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 1.042 HD13 HG22 ' A' 1456 ' ' THR . 3.5 tp -76.84 129.87 36.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 72.54 110.917 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.649 HG21 ' HB2' ' A' 1483 ' ' HIS . 21.6 m -149.9 -177.8 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.13 111.09 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 10.1 p 178.64 62.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 73.04 110.873 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.97 -12.29 55.5 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 60.05 112.454 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 14.9 t0 64.32 108.82 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 72.11 110.838 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.88 132.55 54.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 71.24 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.77 127.67 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 71.34 111.157 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 86.0 t -150.48 136.19 11.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 71.23 111.154 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.33 27.99 15.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 54.34 110.871 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.02 21.67 10.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 72.34 110.875 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -120.87 80.56 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 72.12 111.148 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 38.9 t -45.24 108.99 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 75.24 110.875 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -96.97 174.42 6.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.32 110.915 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.3 mptt -121.22 112.29 18.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 70.5 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.645 ' O ' HG23 ' A' 1467 ' ' VAL . 48.3 mtpt -71.59 71.24 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.903 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.474 HD23 HG21 ' A' 1452 ' ' ILE . 16.3 tp -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 73.03 110.895 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 48.6 mt -136.14 151.37 49.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 71.43 110.939 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.649 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.9 t60 -140.41 139.08 35.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 75.43 110.866 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 19.5 t90 -148.33 135.28 20.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 71.52 110.892 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.05 103.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 72.0 110.877 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.6 -34.32 3.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.733 . . . . 54.15 112.51 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -141.38 -175.16 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.379 . . . . 62.34 110.923 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.3 m -157.6 118.6 3.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 73.15 111.159 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.626 HG23 ' HE2' ' A' 1496 ' ' PHE . 47.5 mm -78.01 112.95 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 73.2 111.117 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.36 113.19 14.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 51.12 110.858 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 28.1 p90 -109.58 139.85 44.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.906 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -98.75 -163.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 73.44 111.125 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -46.61 -37.31 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 61.41 110.873 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -165.56 39.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.41 110.868 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 13.5 mmtm -149.68 111.49 4.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 73.12 110.882 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.626 ' HE2' HG23 ' A' 1489 ' ' ILE . 6.1 t80 -82.53 139.75 33.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 63.42 110.885 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -135.48 136.71 41.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 74.23 110.928 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.537 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.7 p -118.3 85.8 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.21 111.157 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1503 ' ' VAL . 78.9 t -72.86 142.59 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 44.23 111.151 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.699 ' HB2' HG12 ' A' 1503 ' ' VAL . 8.7 mtpt -107.54 -157.71 0.62 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 73.2 110.895 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -45.98 -33.03 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.42 110.887 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -175.8 50.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 65.24 110.809 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.699 HG12 ' HB2' ' A' 1500 ' ' LYS . 9.9 p -159.67 159.3 2.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 73.11 111.158 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' 1503 ' ' VAL . . . -108.95 166.08 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 51.24 111.119 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.537 ' HB2' HG13 ' A' 1498 ' ' VAL . 3.9 mt -158.52 86.52 2.38 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 62.43 110.902 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 118.71 5.84 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.69 2.26 . . . . 70.03 112.311 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.78 178.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 74.21 110.85 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -40.24 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 74.44 110.89 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1512 ' ' ALA . 12.6 m-20 -150.36 170.77 18.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 72.5 110.879 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.74 -46.35 64.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.24 110.911 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.77 -25.89 56.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 75.24 110.92 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -74.8 -39.54 61.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 73.14 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.64 ' SG ' HD11 ' A' 1452 ' ' ILE . 41.9 t -69.04 -47.07 66.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.271 -0.422 . . . . 70.4 110.901 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -59.7 -41.0 89.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 72.34 110.866 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -73.75 -7.7 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 64.24 111.093 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -9.77 43.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 73.43 110.878 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 71.6 mt -120.75 -7.73 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 70.42 110.907 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.79 11.03 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 72.13 111.162 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.58 18.83 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.01 110.879 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.504 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -95.65 -19.87 19.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 73.22 110.907 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.504 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -113.3 26.21 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 63.42 111.072 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 64.23 111.112 179.913 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.863 0.364 . . . . 62.04 110.799 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -136.59 46.09 2.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 65.23 110.818 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.22 37.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 70.51 110.867 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -69.71 165.66 20.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 64.13 110.907 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -86.79 160.15 50.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.598 0.713 . . . . 54.25 111.132 -179.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.562 ' O ' HD11 ' A' 1510 ' ' LEU . 54.0 Cg_endo -69.8 -27.21 26.58 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.673 2.248 . . . . 75.32 112.331 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.2 -49.28 58.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 51.12 110.858 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.621 ' HA ' HD12 ' A' 1452 ' ' ILE . 9.5 t -87.16 -1.23 57.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 65.11 111.168 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' 1446 ' ' THR . . . -66.55 -46.39 76.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 62.23 111.135 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 6.0 p90 -77.71 -22.47 50.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.882 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.654 HD11 ' SG ' ' A' 1513 ' ' CYS . 42.0 mt -78.87 -50.22 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 73.53 111.101 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -46.56 -38.59 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.43 110.931 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -50.23 -35.53 27.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 54.05 110.931 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.5 t -100.11 -32.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 72.03 111.156 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.94 HG22 HD23 ' A' 1466 ' ' LEU . 0.2 OUTLIER -58.37 -29.01 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 61.54 111.126 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 3.1 t -83.79 -1.14 53.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 74.54 110.823 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -103.2 -8.86 20.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.913 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.16 13.39 4.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 72.33 112.527 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 106.22 167.49 23.01 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 51.13 112.471 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.31 -178.71 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 75.22 110.902 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -49.16 -36.73 20.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 74.2 110.853 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.88 -45.59 2.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 43.25 110.892 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 60.3 m95 -59.11 148.31 31.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.925 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . 0.629 ' O ' HD23 ' A' 1482 ' ' LEU . 0.7 OUTLIER -94.47 164.52 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.22 110.867 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.94 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -88.14 122.63 31.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.891 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.733 HG23 ' O ' ' A' 1480 ' ' LYS . 25.0 m -147.12 -175.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 73.31 111.124 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m -178.69 32.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 71.24 110.877 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -62.97 -104.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 70.41 112.503 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.86 172.2 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.797 0.332 . . . . 62.15 110.862 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.579 ' HG ' HG23 ' A' 1473 ' ' VAL . 2.3 tp -177.01 97.86 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 53.4 110.916 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' 1472 ' ' ILE . 59.8 mt -95.67 91.57 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 63.33 111.173 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.579 HG23 ' HG ' ' A' 1471 ' ' LEU . 87.0 t -111.83 127.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 72.32 111.121 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.19 26.83 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.54 110.971 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . 0.404 ' O ' ' CG ' ' A' 1475 ' ' ASP . 0.0 OUTLIER 73.77 5.16 4.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 65.31 110.841 179.865 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 17.4 t -99.3 75.64 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 74.53 111.118 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 44.9 t -43.95 106.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 64.02 110.89 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -95.64 -179.72 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 71.54 110.94 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.49 115.1 13.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 75.21 110.871 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.733 ' O ' HG23 ' A' 1467 ' ' VAL . 21.4 mtmt -72.28 74.93 0.99 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 62.21 110.921 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.36 -43.42 98.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.946 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' 1465 ' ' HIS . 5.7 mt -138.71 153.18 48.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 72.33 110.899 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.519 ' HB3' HG21 ' A' 1467 ' ' VAL . 0.2 OUTLIER -141.71 142.66 33.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 64.32 110.895 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 23.9 t90 -150.94 140.54 21.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 72.15 110.929 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.33 100.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.835 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 128.27 -32.05 3.49 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.738 . . . . 22.1 112.5 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -142.43 -175.54 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 10.5 m -160.81 118.06 2.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.152 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.506 ' CD1' HD21 ' A' 1517 ' ' LEU . 40.6 mm -77.16 111.71 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.092 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . 0.53 ' SG ' HD22 ' A' 1471 ' ' LEU . 13.8 m -127.99 101.36 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.904 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 21.8 p90 -96.86 143.3 27.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.868 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' 1495 ' ' LYS . . . -93.13 -164.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 72.33 111.137 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -48.31 -46.65 36.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 73.43 110.929 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.495 ' HA ' HG21 ' A' 1446 ' ' THR . 0.8 OUTLIER -146.62 27.32 1.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.847 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.432 ' HB2' ' HB3' ' A' 1492 ' ' ALA . 6.7 mmtt -130.95 169.19 16.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.912 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.473 ' HE1' HG23 ' A' 1489 ' ' ILE . 4.5 t80 -136.64 131.99 34.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 74.04 110.889 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -135.08 134.8 40.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.153 -0.476 . . . . 61.23 110.919 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.449 ' O ' HG13 ' A' 1498 ' ' VAL . 2.6 p -114.16 88.71 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.094 -0.503 . . . . 61.22 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.5 t -70.5 132.3 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 74.0 111.135 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.408 ' HB2' HG12 ' A' 1503 ' ' VAL . 0.3 OUTLIER -94.48 -156.38 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.919 179.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' 1501 ' ' ASN . 0.8 OUTLIER -50.95 -36.33 38.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 74.23 110.913 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -167.35 57.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.459 HG22 ' H ' ' A' 1504 ' ' ALA . 3.2 p -173.19 165.7 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.103 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.459 ' H ' HG22 ' A' 1503 ' ' VAL . . . -110.28 177.91 4.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 72.14 111.105 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -168.06 87.65 0.7 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.619 0.723 . . . . 55.32 110.878 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 124.4 11.04 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.708 2.272 . . . . 64.41 112.362 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.98 179.89 1.04 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.261 -0.427 . . . . 72.33 110.834 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 25.1 t -125.37 -34.92 2.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.868 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.413 ' O ' ' HB3' ' A' 1512 ' ' ALA . 2.7 p-10 -158.31 169.41 24.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 61.13 110.867 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.602 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -51.7 -45.12 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 74.02 110.898 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -25.68 48.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.475 . . . . 73.4 110.873 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -73.36 -44.41 58.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.02 111.061 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.654 ' SG ' HD11 ' A' 1452 ' ' ILE . 33.7 t -67.98 -46.54 71.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.241 -0.436 . . . . 71.33 110.866 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.602 ' HD3' HD23 ' A' 1510 ' ' LEU . 63.8 mtp180 -58.66 -24.22 60.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 73.02 110.89 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.5 1.8 46.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 63.25 111.097 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -101.42 -12.6 18.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.236 -0.438 . . . . 74.55 110.932 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.506 HD21 ' CD1' ' A' 1489 ' ' ILE . 48.0 mt -115.84 -20.16 10.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 75.24 110.939 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.56 7.22 17.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 71.3 111.095 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.81 13.49 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.845 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -72.99 -33.0 65.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 75.43 110.889 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -128.16 161.04 30.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 62.12 111.091 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 74.22 111.064 179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.892 0.377 . . . . 73.13 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.21 135.28 37.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 75.15 110.874 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 19.4 ttm 56.62 79.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.437 . . . . 74.43 110.864 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.569 HE22 ' ND2' ' A' 1453 ' ' ASN . 2.0 tt0 -51.71 132.76 31.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 74.41 110.889 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.503 HG21 ' ND2' ' A' 1494 ' ' ASN . 0.2 OUTLIER -81.02 161.37 63.35 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.582 0.706 . . . . 74.01 111.171 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.607 ' O ' HD11 ' A' 1510 ' ' LEU . 53.4 Cg_endo -69.8 -21.17 33.66 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.693 2.262 . . . . 51.32 112.346 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -72.87 -19.95 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.33 110.845 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.545 ' HA ' HD12 ' A' 1452 ' ' ILE . 0.5 OUTLIER -115.64 -27.41 7.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.129 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -52.23 -37.28 54.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 61.53 111.159 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 2.2 p90 -77.95 -20.03 53.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 70.23 110.901 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.545 HD12 ' HA ' ' A' 1449 ' ' THR . 66.3 mt -85.15 -48.85 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.141 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . 0.569 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.2 m-80 -48.39 -39.71 23.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 41.43 110.844 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 -36.65 28.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.845 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -98.56 -25.06 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.22 111.142 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.757 HG22 HD23 ' A' 1466 ' ' LEU . 2.6 m -61.64 -30.9 71.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.135 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.8 t -76.22 -7.07 54.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 71.05 110.865 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -98.23 -11.04 23.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 74.33 110.854 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.34 14.21 4.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 43.34 112.53 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . 0.494 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 108.0 177.33 22.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 50.14 112.497 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.417 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -73.47 -169.09 0.62 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 74.44 110.961 -179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -49.51 -74.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 71.31 110.845 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.77 -22.06 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.902 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 49.3 m95 -78.75 141.0 38.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 75.43 110.931 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . 0.414 ' O ' HD23 ' A' 1482 ' ' LEU . 38.3 m-70 -103.71 156.68 17.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.872 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.757 HD23 HG22 ' A' 1456 ' ' THR . 1.0 OUTLIER -74.8 120.09 19.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 71.2 110.951 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.757 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.1 m -141.77 179.09 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 53.44 111.158 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 43.6 t -178.05 45.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 62.11 110.805 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -71.86 -15.74 76.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.736 -0.745 . . . . 64.51 112.472 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 16.6 t0 63.36 106.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 52.34 110.887 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.432 HD21 HG21 ' A' 1473 ' ' VAL . 0.4 OUTLIER -110.11 122.71 48.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.892 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 50.8 mt -100.65 122.62 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 54.31 111.131 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.432 HG21 HD21 ' A' 1471 ' ' LEU . 59.7 t -144.7 138.08 22.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 71.42 111.139 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.47 28.0 15.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 61.3 110.904 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.59 20.75 10.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 74.11 110.86 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 43.1 t -122.43 81.65 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 72.42 111.108 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 19.6 p -46.27 112.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 72.13 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -96.72 173.42 7.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 72.34 110.94 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.43 111.99 19.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 75.43 110.859 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.578 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -73.17 70.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.879 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.421 ' CD2' HG21 ' A' 1452 ' ' ILE . 16.5 tp -55.99 -46.29 78.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.971 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.494 HD21 ' HA2' ' A' 1460 ' ' GLY . 45.8 mt -136.0 166.16 23.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 73.01 110.917 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.757 ' HB2' HG21 ' A' 1467 ' ' VAL . 9.3 t-160 -159.2 144.22 15.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.32 110.836 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 24.7 t90 -160.05 142.6 13.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 65.33 110.92 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 4.1 m -49.5 101.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 64.42 110.807 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.12 -37.39 1.97 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.44 112.535 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -146.64 -173.41 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.932 0.396 . . . . 74.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.57 HG23 ' CD2' ' A' 1483 ' ' HIS . 4.4 m -160.91 127.69 4.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 51.13 111.132 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.658 HG23 ' CE2' ' A' 1496 ' ' PHE . 44.7 mm -86.72 114.42 25.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 73.32 111.123 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 10.8 m -132.92 104.55 6.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 30.0 p90 -102.38 144.63 30.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.888 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.806 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -103.06 -155.22 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 61.42 111.083 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.81 -59.01 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 64.21 110.868 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.503 ' ND2' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -143.6 33.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.51 110.866 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.806 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -134.24 162.97 30.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 72.31 110.887 179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.658 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.0 t80 -132.2 125.48 31.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.881 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -123.45 133.14 54.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.14 110.945 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' 1498 ' ' VAL . 3.2 p -115.52 84.48 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 74.52 111.161 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 78.3 t -62.09 141.21 18.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 72.15 111.089 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -90.4 -81.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 73.22 110.881 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.71 -22.36 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.34 110.921 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 8.8 t0 -169.75 23.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 62.2 110.876 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 30.6 t -148.26 139.0 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.14 111.159 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -81.01 169.17 17.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 31.14 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.4 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.3 OUTLIER -155.43 89.06 3.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.617 0.722 . . . . 63.41 110.879 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 54.1 Cg_endo -69.74 125.95 12.75 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.662 2.241 . . . . 71.2 112.388 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -177.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 74.35 110.877 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.33 -41.36 2.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 34.2 110.841 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -152.72 169.16 23.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 64.43 110.864 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.741 HD23 ' HD3' ' A' 1514 ' ' ARG . 0.3 OUTLIER -50.49 -46.57 57.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 64.35 110.887 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -27.6 27.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.25 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -73.85 -43.05 59.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 34.55 111.099 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 35.9 t -69.7 -45.31 68.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 71.15 110.916 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.741 ' HD3' HD23 ' A' 1510 ' ' LEU . 60.3 mtp180 -61.47 -35.4 77.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 70.11 110.858 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -86.46 0.52 54.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.32 111.125 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -7.2 27.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.14 110.933 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.7 mt -117.35 -3.25 11.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 61.13 110.918 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.05 11.51 2.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 72.14 111.154 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.52 18.03 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 70.41 110.877 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.547 ' HE ' ' HB2' ' A' 1521 ' ' ALA . 0.0 OUTLIER -94.77 -19.91 19.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 64.12 110.881 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.547 ' HB2' ' HE ' ' A' 1520 ' ' ARG . . . -146.12 25.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 54.4 111.109 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 70.34 111.113 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.948 0.404 . . . . 53.14 110.817 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 37.7 t60 -147.86 34.66 0.84 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.102 -0.499 . . . . 73.05 110.899 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 9.0 mtt 60.79 63.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.681 HE21 HG23 ' A' 1449 ' ' THR . 17.1 pt20 -91.16 -175.14 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 73.53 110.904 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.34 159.82 43.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.553 0.692 . . . . 50.05 111.145 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.661 ' O ' HD11 ' A' 1510 ' ' LEU . 53.1 Cg_endo -69.8 -25.56 28.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.693 2.262 . . . . 63.32 112.319 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.05 -57.21 8.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.898 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.782 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.0 t -81.71 0.9 36.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 71.44 111.118 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.62 -53.05 53.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 73.32 111.115 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 5.9 p90 -68.65 -27.66 66.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 72.33 110.852 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' 1449 ' ' THR . 42.5 mt -72.53 -50.19 36.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.145 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . 0.452 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.3 m-80 -48.49 -39.99 25.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 63.4 110.86 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -51.18 -37.43 46.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 74.53 110.916 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.7 t -97.66 -22.98 4.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 61.21 111.137 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.783 HG23 HD23 ' A' 1466 ' ' LEU . 26.5 m -62.2 -36.06 80.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.12 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.3 t -69.56 -11.52 60.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.11 110.877 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -94.17 -15.47 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 33.44 110.862 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.43 23.32 2.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 64.35 112.457 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . 0.579 ' HA2' HD21 ' A' 1482 ' ' LEU . . . 100.18 171.16 29.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.71 -0.757 . . . . 40.53 112.464 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -169.02 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.921 0.391 . . . . 71.23 110.92 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -48.92 -71.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 74.21 110.888 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 6.4 m -91.39 -27.75 18.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 65.13 110.873 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.473 ' HB3' HD22 ' A' 1482 ' ' LEU . 39.3 m95 -73.5 130.08 39.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 73.52 110.879 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.8 p80 -103.17 136.6 42.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 74.51 110.893 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.783 HD23 HG23 ' A' 1456 ' ' THR . 1.9 tm? -52.18 125.71 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 60.33 110.967 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.747 HG21 ' HB2' ' A' 1483 ' ' HIS . 14.8 m -141.26 -177.42 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 74.34 111.118 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 42.7 t -177.94 47.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 72.14 110.895 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -73.58 -16.02 79.13 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.713 -0.756 . . . . 52.51 112.527 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 12.8 t70 58.57 98.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 71.11 110.85 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.44 125.12 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 73.41 110.933 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 56.0 mt -104.47 125.43 59.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 73.11 111.124 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.2 t -148.77 136.56 14.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 61.23 111.14 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.56 28.08 15.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.05 110.88 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 67.12 22.12 9.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 71.43 110.884 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 21.8 t -122.89 79.29 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 63.52 111.15 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 35.8 t -45.85 110.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 62.54 110.883 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.401 ' HB3' ' HB2' ' A' 1490 ' ' CYS . 93.7 m-85 -95.25 159.87 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.925 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.27 118.22 36.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.902 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -74.13 67.75 1.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.934 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.0 tp -56.85 -48.45 78.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 65.02 110.903 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.579 HD21 ' HA2' ' A' 1460 ' ' GLY . 10.4 mt -136.97 162.59 32.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 53.22 110.889 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.747 ' HB2' HG21 ' A' 1467 ' ' VAL . 24.0 t60 -154.97 152.11 29.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 74.3 110.802 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.412 ' HB2' ' HA ' ' A' 1464 ' ' TRP . 23.2 t90 -168.71 143.58 3.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.917 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.1 m -49.69 102.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 75.32 110.857 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 134.65 -43.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.741 . . . . 73.42 112.465 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.33 -175.9 4.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 71.35 110.92 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 93.4 m -156.41 123.5 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 71.1 111.165 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.624 HG23 ' HE1' ' A' 1496 ' ' PHE . 46.2 mm -80.17 114.27 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.158 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' 1478 ' ' TYR . 0.5 OUTLIER -131.24 112.07 12.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.31 110.854 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.1 p90 -111.68 138.35 48.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 75.24 110.918 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -94.45 -156.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 62.12 111.073 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.61 -60.27 1.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 75.53 110.893 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.93 33.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 62.51 110.874 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 162.09 33.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.1 110.936 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.624 ' HE1' HG23 ' A' 1489 ' ' ILE . 7.3 t80 -129.29 140.27 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.881 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -141.42 137.77 32.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 75.31 110.901 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' 1498 ' ' VAL . 2.7 p -117.76 88.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 54.34 111.157 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' A' 1503 ' ' VAL . 48.8 t -67.76 134.99 29.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 64.33 111.123 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 6.7 tttt -95.22 -155.14 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.926 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.1 p30 -47.42 -31.82 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 50.44 110.889 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 28.9 t0 -177.04 43.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.838 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' 1499 ' ' VAL . 8.5 p -151.49 162.01 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.196 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.441 ' N ' HG22 ' A' 1503 ' ' VAL . . . -100.45 171.64 7.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 64.32 111.052 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -165.36 86.06 1.02 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.619 0.723 . . . . 61.53 110.905 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 116.64 4.66 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 73.14 112.35 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.17 175.83 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 74.35 110.898 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.85 -34.24 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 53.33 110.881 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -155.53 167.98 28.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 70.12 110.91 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.9 -43.97 63.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.913 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.49 -24.82 48.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.861 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -76.73 -39.94 50.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 72.44 111.068 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.429 ' SG ' HD11 ' A' 1452 ' ' ILE . 44.3 t -72.2 -43.92 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 72.35 110.89 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -62.91 -37.9 88.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 71.15 110.902 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -78.72 -1.31 33.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 54.41 111.123 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.88 -9.6 28.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 70.52 110.911 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 45.0 mt -119.11 -4.09 10.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.124 -0.489 . . . . 41.32 110.895 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.89 9.19 2.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 72.24 111.128 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.1 17.59 0.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 74.44 110.835 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' 1521 ' ' ALA . 0.0 OUTLIER -79.81 -31.66 40.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 74.01 110.885 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1520 ' ' ARG . . . -109.29 129.33 55.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 53.14 111.109 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 73.0 111.126 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.927 0.394 . . . . 73.15 110.85 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -94.33 107.41 19.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.812 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 59.9 mtt 55.09 76.86 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 75.24 110.848 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.465 ' NE2' HG23 ' A' 1449 ' ' THR . 6.2 tt0 -91.35 157.44 17.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.35 110.887 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.711 HG21 ' HA ' ' A' 1494 ' ' ASN . 0.0 OUTLIER -67.34 159.41 77.64 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.559 0.695 . . . . 71.51 111.125 -179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.471 ' HD2' HG22 ' A' 1446 ' ' THR . 53.3 Cg_endo -69.77 -35.32 12.83 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.679 2.252 . . . . 71.2 112.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 31.9 mp0 -53.45 -50.47 65.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 31.22 110.87 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.767 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.1 t -89.99 0.28 57.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 75.12 111.164 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.26 -52.79 52.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.122 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -69.72 -29.13 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 71.35 110.865 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.767 HD12 ' HA ' ' A' 1449 ' ' THR . 53.6 mt -69.33 -51.73 39.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.44 111.141 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . 0.446 ' ND2' HE22 ' A' 1445 ' ' GLN . 1.5 m-80 -47.64 -37.7 13.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 51.23 110.929 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.17 -35.02 33.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.885 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' 1460 ' ' GLY . 2.5 t -100.72 -30.38 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 72.43 111.119 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.879 HG22 HD23 ' A' 1466 ' ' LEU . 0.7 OUTLIER -57.96 -27.79 63.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 54.11 111.126 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 9.1 t -76.05 -6.99 53.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.825 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -97.77 -13.44 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 71.45 110.888 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 124.8 15.11 3.28 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 73.52 112.492 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . 0.547 ' O ' HG12 ' A' 1455 ' ' VAL . . . 131.52 -163.7 23.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.757 . . . . 63.22 112.469 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -117.44 80.78 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 64.34 110.897 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 1.8 m-70 65.25 -81.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.828 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.56 -45.16 7.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 70.4 110.881 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 72.6 m95 -57.08 144.28 35.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.114 -0.494 . . . . 60.31 110.931 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -97.11 139.99 32.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 72.31 110.863 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.879 HD23 HG22 ' A' 1456 ' ' THR . 0.9 OUTLIER -72.19 119.9 17.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.949 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' 1483 ' ' HIS . 34.5 m -139.65 -175.75 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.3 111.134 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 179.44 62.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 72.1 110.87 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -89.09 -11.66 64.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 72.23 112.497 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 9.0 t70 62.89 104.34 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 63.2 110.847 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.427 HD21 HG21 ' A' 1473 ' ' VAL . 1.1 tp -106.14 125.92 51.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 65.21 110.891 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 38.0 mt -109.15 102.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 63.23 111.174 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.427 HG21 HD21 ' A' 1471 ' ' LEU . 70.8 t -123.98 132.32 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 42.03 111.135 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.23 25.68 13.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.5 110.881 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 73.37 3.37 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.842 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 23.6 t -96.54 78.36 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 63.22 111.101 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 15.0 p -44.99 104.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.816 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -91.62 178.39 5.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 61.22 110.914 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 3.6 mptt -128.59 111.7 13.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 74.01 110.888 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.403 ' O ' HG23 ' A' 1467 ' ' VAL . 0.1 OUTLIER -72.77 70.2 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.912 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.478 HD23 HG21 ' A' 1452 ' ' ILE . 16.9 tp -58.26 -41.77 85.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.944 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.627 HD21 HG23 ' A' 1456 ' ' THR . 11.7 mt -143.76 165.87 26.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 55.3 110.891 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.715 ' HB2' HG21 ' A' 1467 ' ' VAL . 2.3 t60 -154.13 127.89 8.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.827 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' 1521 ' ' ALA . 23.0 t90 -134.67 140.35 45.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 61.33 110.921 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.49 103.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 53.14 110.876 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 126.47 -34.13 3.27 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 60.04 112.494 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -141.91 -176.45 4.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.943 0.402 . . . . 73.22 110.866 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 4.2 m -155.93 122.77 5.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 62.03 111.1 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.55 ' CD1' HD21 ' A' 1517 ' ' LEU . 48.5 mm -80.81 105.53 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.3 111.119 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 13.6 m -127.99 103.02 7.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 55.31 110.877 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . 0.437 ' HA ' ' HA ' ' A' 1496 ' ' PHE . 28.6 p90 -99.52 147.49 25.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.927 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.798 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -101.04 -151.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 63.05 111.088 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -40.92 -65.04 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 65.31 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.711 ' HA ' HG21 ' A' 1446 ' ' THR . 0.1 OUTLIER -134.97 1.89 3.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.894 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.798 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -101.27 164.59 11.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.872 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' 1491 ' ' TYR . 1.6 t80 -130.84 132.22 45.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 61.52 110.849 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -126.0 142.99 51.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.472 . . . . 71.33 110.947 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.598 HG21 ' NH2' ' A' 1520 ' ' ARG . 3.4 p -120.16 81.08 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 74.24 111.152 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 58.1 t -48.54 139.04 3.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.55 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 2.6 tttt -111.18 -162.7 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.883 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -45.42 -30.84 1.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 64.32 110.89 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 179.31 35.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 75.34 110.833 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' 1504 ' ' ALA . 4.0 t -147.35 159.49 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 52.53 111.084 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' 1503 ' ' VAL . . . -100.48 163.91 12.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 51.24 111.089 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.402 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 2.1 mt -157.3 86.56 2.72 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.712 . . . . 72.01 110.917 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.7 Cg_endo -69.77 122.14 8.82 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.676 2.251 . . . . 62.52 112.371 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.63 -178.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 72.44 110.906 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.48 -41.12 2.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.899 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -153.31 167.11 30.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 74.4 110.867 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.427 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.5 OUTLIER -51.07 -44.4 61.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.944 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -29.0 61.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.9 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -70.23 -46.62 64.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 53.24 111.103 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.657 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.5 t -61.86 -44.87 95.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 70.45 110.895 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.427 ' HD2' HD23 ' A' 1510 ' ' LEU . 32.4 mtp85 -63.75 -25.82 68.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 74.0 110.842 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -95.16 2.85 55.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 53.13 111.069 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -104.07 -9.48 18.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 72.14 110.934 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.55 HD21 ' CD1' ' A' 1489 ' ' ILE . 57.9 mt -117.69 -13.43 10.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.135 -0.484 . . . . 74.34 110.899 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 1.1 m -111.48 -19.13 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 72.54 111.159 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.06 0.26 21.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 71.12 110.877 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.598 ' NH2' HG21 ' A' 1498 ' ' VAL . 5.0 tpp180 -91.89 -25.96 18.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 75.33 110.885 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.504 ' HB2' ' CH2' ' A' 1484 ' ' TRP . . . -178.59 156.61 0.91 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 71.34 111.091 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.02 111.139 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.851 0.358 . . . . 74.44 110.847 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 -91.35 55.78 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.858 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -172.14 98.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 64.43 110.906 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.529 HE21 HG23 ' A' 1449 ' ' THR . 6.5 pt20 -96.17 172.29 8.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 72.24 110.899 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.23 159.67 67.22 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.589 0.709 . . . . 70.31 111.134 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -38.26 8.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 55.34 112.314 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -55.97 -36.73 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.878 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.685 ' HA ' HD12 ' A' 1452 ' ' ILE . 4.7 t -104.2 2.14 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.113 -0.494 . . . . 70.45 111.175 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -67.8 -33.57 75.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 42.4 111.08 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.4 p90 -86.39 -23.87 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 31.1 mt -78.23 -47.37 24.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 74.54 111.152 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -49.15 -38.9 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 73.34 110.881 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.55 -35.21 39.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 63.31 110.94 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 5.6 t -98.31 -29.24 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 73.21 111.119 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.701 ' CG2' HD23 ' A' 1466 ' ' LEU . 1.9 m -57.86 -30.47 65.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 54.31 111.099 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 8.7 t -76.13 -8.07 56.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.842 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.8 -13.73 21.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 74.43 110.881 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.7 21.55 2.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 51.15 112.519 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 101.99 168.34 27.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.775 -0.726 . . . . 75.21 112.45 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.599 ' CD2' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -66.16 -168.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.383 . . . . 73.25 110.953 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -51.53 -67.44 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.825 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.449 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.0 OUTLIER -96.16 -25.09 15.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.87 -179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 39.0 m95 -77.38 131.78 38.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.95 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 57.8 m-70 -93.86 162.68 13.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 52.32 110.866 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.701 HD23 ' CG2' ' A' 1456 ' ' THR . 1.2 tm? -83.06 116.73 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 74.04 110.878 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' 1483 ' ' HIS . 27.0 m -134.46 -175.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.33 111.141 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 4.7 p 176.06 56.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 62.05 110.849 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -86.13 -9.02 77.64 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.729 . . . . 44.31 112.465 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 13.3 t0 65.84 122.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.806 0.336 . . . . 65.23 110.86 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.547 HD21 HG21 ' A' 1499 ' ' VAL . 25.5 tp -111.74 104.71 13.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 62.33 110.927 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' 1472 ' ' ILE . 76.7 mt -97.82 77.47 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 75.13 111.107 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.768 HG12 ' HE1' ' A' 1478 ' ' TYR . 0.3 OUTLIER -104.05 146.44 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.22 111.105 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.28 22.31 1.96 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.13 110.894 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 74.82 27.85 1.19 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 73.25 110.901 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 19.8 t -121.94 81.6 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 62.01 111.171 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 16.3 p -51.75 108.64 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 65.02 110.884 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.768 ' HE1' HG12 ' A' 1473 ' ' VAL . 75.6 m-85 -97.88 -174.51 2.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 65.25 110.968 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -129.06 106.08 8.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.913 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.499 ' O ' HG23 ' A' 1467 ' ' VAL . 52.8 mtpt -69.68 74.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.13 -41.54 92.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 70.1 110.923 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 71.3 mt -139.9 170.2 16.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 73.55 110.905 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.652 ' HB2' HG21 ' A' 1467 ' ' VAL . 3.0 t60 -170.33 140.72 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 75.32 110.858 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 26.5 t90 -164.12 132.53 3.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 52.3 110.903 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 19.4 t 61.65 -87.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 74.25 110.832 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -135.83 -21.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.724 -0.75 . . . . 75.11 112.479 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.56 122.25 26.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 71.23 110.909 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.473 HG21 ' HE3' ' A' 1480 ' ' LYS . 1.7 m -113.36 114.0 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 64.24 111.093 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.747 HG23 ' CE1' ' A' 1496 ' ' PHE . 50.8 mm -71.94 94.34 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 62.31 111.117 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.6 m -111.6 108.17 17.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 75.13 110.883 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.0 p90 -103.14 145.21 30.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 74.4 110.97 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -104.49 -161.38 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 60.35 111.068 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -45.65 -37.38 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 53.41 110.87 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.58 39.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 65.41 110.933 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 7.9 mtpp -149.17 114.76 5.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.911 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.747 ' CE1' HG23 ' A' 1489 ' ' ILE . 3.9 t80 -83.97 134.53 34.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 70.42 110.903 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -131.97 133.78 44.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.927 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.521 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.6 p -111.77 85.56 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 74.15 111.143 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . 0.547 HG21 HD21 ' A' 1471 ' ' LEU . 81.8 t -66.46 141.07 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 74.23 111.164 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -112.0 -161.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 75.51 110.894 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.6 -27.56 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.86 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . 0.486 ' N ' HD22 ' A' 1501 ' ' ASN . 1.1 t0 178.38 36.71 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 74.34 110.828 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 58.5 t -150.26 138.55 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 72.22 111.124 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -88.43 172.1 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.093 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.521 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.3 mt -163.84 85.02 1.28 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.617 0.723 . . . . 52.43 110.914 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 120.86 7.57 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 63.11 112.332 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.47 179.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.891 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 16.2 t -120.98 -41.31 2.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 65.14 110.883 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' 1512 ' ' ALA . 1.6 p30 -153.96 169.64 22.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 70.13 110.891 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.645 HD23 ' NE ' ' A' 1514 ' ' ARG . 0.4 OUTLIER -51.44 -45.34 62.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.31 110.86 -179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.1 -27.48 45.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 71.3 110.869 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -72.28 -46.05 57.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 71.23 111.097 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' 1452 ' ' ILE . 12.4 t -65.43 -43.72 89.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 72.1 110.867 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.645 ' NE ' HD23 ' A' 1510 ' ' LEU . 80.6 mtm180 -65.34 -28.53 69.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 71.43 110.925 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -92.3 3.8 54.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 75.23 111.107 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -96.25 -25.58 15.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 73.34 110.866 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.599 HD13 ' CD2' ' A' 1461 ' ' TYR . 15.7 mt -97.52 -6.17 34.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 65.11 110.877 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.19 3.65 12.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 60.02 111.141 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 22.8 t -117.19 -24.03 7.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 35.04 110.9 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . 0.46 ' NH1' HG21 ' A' 1498 ' ' VAL . 0.0 OUTLIER -74.98 -42.61 57.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 71.54 110.901 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.449 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -174.88 152.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 72.24 111.117 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 64.02 111.139 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.889 0.376 . . . . 73.32 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -107.07 -60.97 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 63.43 110.831 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.8 89.42 3.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.516 HE21 HG23 ' A' 1449 ' ' THR . 10.8 pt20 -83.13 162.39 21.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 73.03 110.893 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.483 ' OG1' HG22 ' A' 1449 ' ' THR . 0.8 OUTLIER -72.62 159.64 84.85 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.552 0.691 . . . . 75.42 111.156 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.538 ' O ' HD11 ' A' 1510 ' ' LEU . 53.9 Cg_endo -69.8 -31.1 21.0 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.7 2.267 . . . . 55.13 112.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 50.4 mp0 -62.37 -53.9 48.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 54.22 110.927 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.74 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.2 t -82.66 1.43 38.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 74.45 111.127 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.84 -59.22 4.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 62.43 111.098 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 12.6 p90 -65.2 -29.02 69.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 70.12 110.883 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.74 HD12 ' HA ' ' A' 1449 ' ' THR . 47.9 mt -69.31 -50.47 51.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 51.42 111.127 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -48.78 -38.65 22.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 75.31 110.861 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -51.11 -35.93 37.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 75.44 110.917 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.4 t -99.23 -27.22 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.33 111.143 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.724 ' CG2' HD23 ' A' 1466 ' ' LEU . 2.6 m -59.77 -31.21 69.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 62.23 111.152 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 10.2 t -75.05 -8.26 56.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 72.44 110.877 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -97.54 -13.41 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 65.23 110.867 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 20.6 2.77 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.732 -0.747 . . . . 65.44 112.471 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 105.23 170.14 23.98 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.783 -0.723 . . . . 71.32 112.543 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.569 ' CD1' HD13 ' A' 1517 ' ' LEU . 0.2 OUTLIER -68.24 -168.49 0.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.904 0.383 . . . . 74.45 110.933 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -48.42 -71.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.5 . . . . 75.1 110.869 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.99 -23.69 16.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.14 110.847 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.402 ' NE1' ' HA ' ' A' 1517 ' ' LEU . 36.0 m95 -73.63 136.53 43.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.141 -0.481 . . . . 74.22 110.91 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -99.01 156.29 17.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 72.2 110.856 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.724 HD23 ' CG2' ' A' 1456 ' ' THR . 1.6 tm? -78.64 123.95 27.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 71.03 110.89 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.736 HG21 ' HB2' ' A' 1483 ' ' HIS . 28.8 m -144.16 -175.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 65.54 111.135 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 1.2 m 179.86 51.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.901 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -88.37 -6.93 73.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.747 -0.74 . . . . 72.02 112.464 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.9 t70 65.33 151.49 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.831 0.348 . . . . 65.54 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 26.6 tp -138.09 103.56 4.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 74.13 110.924 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.73 77.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 74.13 111.11 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . 0.784 HG12 ' HE2' ' A' 1478 ' ' TYR . 0.3 OUTLIER -105.52 146.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 75.3 111.136 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.61 22.83 1.69 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 74.27 30.27 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 52.1 110.9 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 11.7 t -123.95 78.89 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 71.22 111.134 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 52.8 t -49.8 108.19 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.891 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.784 ' HE2' HG12 ' A' 1473 ' ' VAL . 74.5 m-85 -97.96 -173.5 2.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 73.11 110.965 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -132.08 110.14 10.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 55.3 110.907 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.74 75.64 0.44 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 64.44 110.959 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 23.7 tp -63.09 -37.91 89.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 63.1 mt -145.59 163.15 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 64.51 110.948 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.736 ' HB2' HG21 ' A' 1467 ' ' VAL . 10.6 t-160 -161.11 129.25 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.842 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.428 ' CD1' ' C ' ' A' 1484 ' ' TRP . 8.3 t90 -111.76 -75.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.913 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 m -169.82 -63.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 74.13 110.837 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -83.91 -7.46 85.59 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.735 -0.745 . . . . 71.33 112.451 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.8 160.39 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 71.45 110.906 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 5.4 m -141.94 120.38 12.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 71.2 111.129 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.622 HG23 ' CE2' ' A' 1496 ' ' PHE . 45.7 mm -80.64 105.58 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 75.04 111.183 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 11.6 m -127.62 101.56 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 75.01 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 32.4 p90 -96.9 150.94 20.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 75.51 110.935 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -105.34 -160.36 0.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.124 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -46.68 -34.46 5.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.41 110.86 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.95 40.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 73.54 110.894 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -150.37 113.31 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 61.31 110.895 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.622 ' CE2' HG23 ' A' 1489 ' ' ILE . 4.4 t80 -82.01 135.96 35.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 74.33 110.884 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -131.82 138.09 48.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 72.42 110.94 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -117.26 88.22 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 74.02 111.134 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 75.3 t -63.2 143.09 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 61.41 111.127 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.441 ' HD2' HD12 ' A' 1505 ' ' LEU . 7.9 mtpt -113.84 -160.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 74.22 110.895 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.8 m-80 -47.78 -30.28 3.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 75.3 110.924 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.84 35.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 63.22 110.843 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -146.68 153.66 12.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 64.54 111.148 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.7 167.32 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.34 111.068 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.36 84.99 2.55 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.629 0.728 . . . . 54.11 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 120.16 6.99 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.649 2.233 . . . . 72.32 112.362 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.01 175.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 74.45 110.879 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.86 -34.21 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.803 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' 1512 ' ' ALA . 42.3 m-20 -158.17 172.23 18.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 75.14 110.866 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.538 HD11 ' O ' ' A' 1447 ' ' PRO . 0.4 OUTLIER -51.76 -45.84 63.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.21 110.917 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.84 -27.16 59.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 65.54 110.884 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.37 -41.37 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 74.1 111.107 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.65 ' SG ' HD11 ' A' 1452 ' ' ILE . 22.1 t -67.98 -48.38 65.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.465 . . . . 70.33 110.905 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.439 ' HD2' HD23 ' A' 1510 ' ' LEU . 35.6 mtp85 -59.95 -35.04 74.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 75.14 110.872 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 1.65 52.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 63.33 111.085 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.2 OUTLIER -98.9 -9.5 24.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.915 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' 1461 ' ' TYR . 92.8 mt -107.15 -10.55 15.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.479 . . . . 74.35 110.915 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.8 15.6 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 54.21 111.157 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.73 19.02 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 35.32 110.894 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -24.48 39.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 71.21 110.876 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -125.13 -172.76 2.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 62.33 111.118 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.426 . . . . 52.13 111.081 179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.893 0.378 . . . . 64.14 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.1 157.32 18.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.86 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 54.32 28.79 9.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 64.15 110.89 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.704 HE21 HG23 ' A' 1449 ' ' THR . 4.9 pt20 43.98 -163.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.51 110.902 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.466 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -121.54 161.17 42.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.613 0.72 . . . . 74.41 111.15 -179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.672 ' O ' HD11 ' A' 1510 ' ' LEU . 54.3 Cg_endo -69.67 -25.44 29.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.709 2.272 . . . . 75.32 112.397 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -70.5 -38.98 74.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 52.54 110.863 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.704 HG23 HE21 ' A' 1445 ' ' GLN . 3.9 t -95.95 -2.26 47.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 71.32 111.136 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -65.32 -54.25 31.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 71.52 111.115 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 8.4 p90 -67.92 -27.21 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.873 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.643 HD11 ' SG ' ' A' 1513 ' ' CYS . 79.1 mt -74.39 -46.32 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 71.13 111.136 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -47.92 -39.18 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 60.42 110.897 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -36.22 36.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 63.22 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' 1460 ' ' GLY . 2.6 t -97.52 -30.57 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.108 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.881 HG22 HD23 ' A' 1466 ' ' LEU . 0.8 OUTLIER -59.21 -20.18 51.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 70.12 111.18 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 6.5 t -84.82 -6.51 59.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 62.04 110.847 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -96.01 -15.26 22.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 52.41 110.935 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 126.26 9.22 4.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 45.1 112.469 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . 0.619 ' O ' HG12 ' A' 1455 ' ' VAL . . . 136.26 -157.27 23.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 73.04 112.516 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.538 ' CD2' HD13 ' A' 1517 ' ' LEU . 1.9 t80 -129.26 81.99 2.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.951 0.405 . . . . 75.53 110.901 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 3.1 m-70 64.52 -82.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 75.13 110.889 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.556 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.9 OUTLIER -94.69 -45.21 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.879 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.4 ' CE3' HG12 ' A' 1489 ' ' ILE . 57.7 m95 -55.19 145.96 19.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.147 -0.479 . . . . 75.14 110.918 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -101.4 138.43 38.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.904 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.881 HD23 HG22 ' A' 1456 ' ' THR . 0.8 OUTLIER -68.84 122.73 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.35 110.938 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.77 HG21 ' HB3' ' A' 1483 ' ' HIS . 5.1 m -143.54 -177.81 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 64.51 111.126 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 3.7 p 174.58 59.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.25 110.935 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -102.19 6.11 53.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.759 -0.734 . . . . 74.13 112.501 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 2.3 t70 56.19 95.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.874 0.368 . . . . 70.52 110.863 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . 0.441 HD22 ' SG ' ' A' 1490 ' ' CYS . 0.3 OUTLIER -91.52 108.77 20.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 72.25 110.913 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 1.1 mp -79.94 131.72 33.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 71.33 111.156 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 53.1 t -152.19 121.43 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 44.54 111.138 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.72 26.55 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 72.04 110.91 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.89 22.68 4.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 72.11 110.893 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 24.0 t -120.38 80.94 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 63.24 111.159 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 20.3 p -44.43 112.09 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 54.42 110.899 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.471 ' CE1' ' HB2' ' A' 1492 ' ' ALA . 75.5 m-85 -102.47 167.72 9.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 65.43 110.949 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -107.2 111.54 24.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 74.43 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.671 ' O ' HG23 ' A' 1467 ' ' VAL . 19.3 mtpp -73.8 66.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 61.23 110.876 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 15.7 tp -54.54 -38.27 66.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 54.42 110.984 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.64 HD23 ' HA ' ' A' 1466 ' ' LEU . 61.4 mt -152.08 158.85 43.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 72.44 110.913 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.77 ' HB3' HG21 ' A' 1467 ' ' VAL . 1.6 p-80 -149.05 140.39 23.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 60.43 110.873 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 22.2 t90 -145.83 145.26 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.889 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -30.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 63.3 110.863 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -79.04 -56.0 3.61 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 72.42 112.514 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.29 173.75 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 70.43 110.954 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 15.4 m -128.01 138.27 52.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 74.45 111.134 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.755 HG23 ' CE2' ' A' 1496 ' ' PHE . 35.7 mm -96.43 106.33 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.44 111.165 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . 0.441 ' SG ' HD22 ' A' 1471 ' ' LEU . 20.5 m -130.52 107.77 9.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.492 . . . . 71.2 110.885 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -107.32 149.1 28.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.965 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.796 ' HB3' ' HG2' ' A' 1495 ' ' LYS . . . -102.65 -155.32 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 73.45 111.079 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.23 -37.67 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 63.5 110.855 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . 0.413 ' OD1' HG22 ' A' 1446 ' ' THR . 0.2 OUTLIER -169.39 34.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 71.15 110.875 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . 0.796 ' HG2' ' HB3' ' A' 1492 ' ' ALA . 0.0 OUTLIER -139.43 110.87 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.51 110.885 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.755 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.3 t80 -82.48 137.37 34.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.872 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -128.62 133.9 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 75.32 110.921 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' 1498 ' ' VAL . 2.4 p -112.35 87.1 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.099 -0.5 . . . . 75.12 111.143 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 76.3 t -62.37 141.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 74.43 111.133 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.61 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.2 OUTLIER -113.26 -159.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 73.14 110.884 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.49 ' H ' ' ND2' ' A' 1501 ' ' ASN . 2.0 m-80 -47.5 -30.99 3.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.01 110.884 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 179.83 35.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.843 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 11.6 t -146.32 154.07 12.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 65.1 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -99.26 167.8 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 52.4 111.084 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.61 HD12 ' HD2' ' A' 1500 ' ' LYS . 0.7 OUTLIER -161.95 87.97 1.5 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.622 0.725 . . . . 73.11 110.951 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 118.86 5.93 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 72.41 112.331 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.11 175.85 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 70.54 110.893 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 1.4 t -116.82 -38.67 3.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.885 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' 1512 ' ' ALA . 33.8 m-20 -158.19 171.8 19.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.116 -0.493 . . . . 73.54 110.891 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.672 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.8 -46.07 64.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 70.33 110.929 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.77 -26.36 45.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 75.54 110.877 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -71.38 -46.66 59.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.31 111.14 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.643 ' SG ' HD11 ' A' 1452 ' ' ILE . 8.8 t -65.72 -46.18 79.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.45 110.878 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.567 ' HD2' HD23 ' A' 1510 ' ' LEU . 39.0 mtp85 -59.13 -24.63 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 74.03 110.903 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -98.89 4.99 47.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 63.33 111.075 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -97.91 -30.23 12.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.262 -0.427 . . . . 65.2 110.944 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.538 HD13 ' CD2' ' A' 1461 ' ' TYR . 28.1 mt -93.53 -4.72 50.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 61.31 110.929 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -121.08 10.73 10.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.11 111.097 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 2.0 t -133.82 5.22 3.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 45.31 110.869 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -95.45 -26.92 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 74.01 110.904 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.556 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -178.44 160.05 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 64.1 111.128 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 55.32 111.085 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.891 0.376 . . . . 73.32 110.847 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.15 -39.8 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.861 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.19 78.15 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.886 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -80.32 174.87 11.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 74.2 110.933 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.526 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -109.44 160.14 28.82 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.538 0.685 . . . . 64.31 111.16 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.526 ' HD2' HG22 ' A' 1446 ' ' THR . 53.7 Cg_endo -69.74 -46.0 1.4 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.679 2.253 . . . . 72.1 112.312 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' 1510 ' ' LEU . 0.2 OUTLIER -56.45 -22.43 32.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 75.55 110.91 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . . . . . . . . . 4.9 t -106.24 -7.19 17.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 73.14 111.166 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.61 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 72.21 111.092 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' 1517 ' ' LEU . 5.2 p90 -75.97 -10.68 59.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.891 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.455 HG22 ' OG1' ' A' 1456 ' ' THR . 36.1 mt -92.04 -44.06 14.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 75.21 111.11 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -47.51 -42.94 24.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 65.12 110.873 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 5.4 t30 -48.74 -37.89 20.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.933 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.6 t -97.72 -21.44 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.2 111.123 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.747 ' CG2' HD23 ' A' 1466 ' ' LEU . 6.5 m -63.44 -36.52 84.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.148 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 24.3 t -69.02 -11.52 60.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 74.03 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -94.4 -14.55 25.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.893 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 123.73 22.27 2.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 74.42 112.491 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 102.94 170.37 26.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 54.41 112.492 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -168.56 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.905 0.383 . . . . 71.33 110.939 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -45.62 -66.52 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.843 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.61 ' OG ' ' HB1' ' A' 1521 ' ' ALA . 4.4 m -100.84 -28.46 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 45.22 110.875 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . . . . . . . . . 53.6 m95 -69.07 129.53 40.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 75.22 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -89.08 166.69 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.865 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.747 HD23 ' CG2' ' A' 1456 ' ' THR . 1.0 OUTLIER -91.32 118.67 30.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 55.22 110.908 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.645 ' N ' HD22 ' A' 1466 ' ' LEU . 19.7 m -137.85 -177.08 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.148 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 178.51 60.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.848 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -85.3 -15.61 66.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 41.03 112.506 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 10.7 t70 63.96 109.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.83 0.348 . . . . 75.45 110.833 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.17 119.73 35.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.927 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 55.0 mt -100.14 123.88 53.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 71.52 111.134 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 48.6 t -147.52 137.16 16.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.14 111.097 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.12 27.8 14.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 72.44 110.895 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 66.15 21.99 11.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 63.45 110.837 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.46 78.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 41.4 t -46.07 107.33 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 72.21 110.819 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.49 -177.92 5.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.936 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 112.29 12.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 73.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.522 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -70.72 73.47 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.24 110.891 179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 13.4 tp -58.94 -54.14 50.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 63.21 110.933 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . . . . . . . . . 17.7 mt -134.13 159.2 41.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 73.01 110.898 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.62 ' HB3' HG11 ' A' 1467 ' ' VAL . 33.9 t-80 -144.81 116.46 8.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.845 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 20.6 t90 -127.72 136.54 51.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 70.7 m -45.7 104.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 62.32 110.855 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 129.98 -40.19 1.71 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 32.1 112.51 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -147.5 151.21 35.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 71.34 110.934 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . 0.412 HG22 ' SG ' ' A' 1490 ' ' CYS . 30.3 m -119.83 121.06 38.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 64.2 111.174 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . . . . . . . . . 45.4 mm -77.13 115.73 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.11 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . 0.412 ' SG ' HG22 ' A' 1488 ' ' THR . 31.3 m -140.87 104.24 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.897 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 50.9 p90 -91.13 173.3 8.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.923 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' 1446 ' ' THR . . . -133.8 -156.48 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 71.25 111.079 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -46.66 -31.83 3.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.885 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -178.08 42.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 62.31 110.877 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 24.5 mmtm -153.67 126.64 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 53.12 110.915 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.451 ' CD2' ' C ' ' A' 1496 ' ' PHE . 0.8 OUTLIER -86.67 118.04 25.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 72.32 110.828 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -111.59 124.29 52.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 70.01 110.927 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' 1498 ' ' VAL . 5.6 p -109.58 109.25 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 73.34 111.185 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 73.1 t -80.56 138.16 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 75.21 111.155 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -104.89 -154.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.917 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.513 ' H ' ' ND2' ' A' 1501 ' ' ASN . 1.8 m-80 -46.73 -32.02 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 71.53 110.9 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 179.08 34.46 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.809 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 12.8 t -147.69 139.81 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.13 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -80.19 178.37 8.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 62.15 111.085 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' A' 1506 ' ' PRO . 0.4 OUTLIER -166.71 89.98 0.79 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.588 0.709 . . . . 63.23 110.935 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' 1505 ' ' LEU . 53.0 Cg_endo -69.79 134.17 27.27 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 70.31 112.312 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . 0.422 ' CD2' ' HB3' ' A' 1512 ' ' ALA . 3.1 m-85 -89.63 169.92 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 72.35 110.87 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.6 -36.28 10.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 63.42 110.901 -179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 p30 -170.98 170.13 6.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 62.41 110.856 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' 1448 ' ' GLU . 0.4 OUTLIER -47.19 -37.91 11.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.51 110.904 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.86 -36.23 11.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 64.13 110.873 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' 1507 ' ' PHE . . . -74.81 -42.64 57.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 61.31 111.147 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 39.9 t -63.93 -44.43 92.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 60.52 110.902 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.47 ' CD ' HD23 ' A' 1510 ' ' LEU . 65.3 mtm180 -58.62 -31.54 68.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 74.32 110.897 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -87.44 13.26 10.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 73.43 111.117 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -116.03 -39.57 3.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 70.14 110.898 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' 1451 ' ' PHE . 14.2 mt -90.45 -1.75 57.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 71.21 110.912 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . 0.699 ' HA ' ' HB2' ' A' 1522 ' ' ALA . 1.3 m -132.8 9.48 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 51.44 111.166 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.13 -34.56 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.52 110.859 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -28.07 43.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 74.5 110.847 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.61 ' HB1' ' OG ' ' A' 1463 ' ' SER . . . -171.51 68.93 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 71.45 111.101 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' 1518 ' ' THR . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 55.14 111.119 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.888 0.375 . . . . 35.11 110.85 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 30.9 m80 -138.39 33.09 2.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 74.13 110.897 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.33 121.19 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.867 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -101.17 172.81 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.916 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.465 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.0 OUTLIER -94.12 160.08 32.91 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.619 0.723 . . . . 72.42 111.12 -179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.465 ' HD2' HG22 ' A' 1446 ' ' THR . 54.1 Cg_endo -69.7 -39.91 6.05 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.747 2.298 . . . . 72.05 112.331 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 36.9 mp0 -58.39 -26.64 63.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.861 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.592 ' HA ' HD12 ' A' 1452 ' ' ILE . 5.4 t -111.27 2.51 17.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 65.11 111.181 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -68.43 -37.56 80.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.31 111.104 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' 1452 ' ' ILE . 16.9 p90 -82.45 -25.25 33.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 63.33 110.868 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.618 HD13 HD23 ' A' 1481 ' ' LEU . 32.7 mt -78.52 -45.55 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.089 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.99 -42.55 18.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 72.24 110.833 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -51.17 -42.71 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 63.33 110.91 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.3 t -91.21 -18.02 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 72.53 111.141 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.84 HG23 HD23 ' A' 1466 ' ' LEU . 96.5 m -62.22 -45.77 91.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 61.33 111.133 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 31.5 t -59.8 -19.17 49.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.817 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -89.33 -24.5 21.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 63.23 110.911 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 129.59 30.51 0.65 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.32 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 85.13 173.21 49.71 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 63.42 112.464 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.435 ' HE2' ' HG1' ' A' 1518 ' ' THR . 0.2 OUTLIER -58.62 -172.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 65.03 110.989 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -49.92 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 72.12 110.877 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.79 -24.53 33.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 63.15 110.872 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.415 ' HB3' ' HB3' ' A' 1482 ' ' LEU . 44.9 m95 -83.59 126.5 32.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 70.02 110.939 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 41.6 m-70 -94.69 167.81 11.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 74.52 110.886 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.84 HD23 HG23 ' A' 1456 ' ' THR . 0.9 OUTLIER -86.77 118.06 25.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 51.11 110.927 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.679 HG21 ' HB2' ' A' 1483 ' ' HIS . 35.7 m -131.95 -175.67 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 71.42 111.076 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.44 50.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 65.4 110.826 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -74.44 -13.18 81.9 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.24 112.506 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 15.8 t70 57.55 95.52 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.847 0.356 . . . . 74.4 110.839 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 114.56 27.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.887 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 66.2 mt -98.51 113.38 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 70.0 t -138.6 136.74 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 71.11 111.159 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' 1476 ' ' VAL . 0.2 OUTLIER 64.24 28.97 13.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 73.54 110.905 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.92 21.77 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.893 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' 1474 ' ' LYS . 21.7 t -121.97 79.4 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.13 111.106 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 25.8 t -45.76 109.91 0.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 64.25 110.87 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' 1492 ' ' ALA . 82.5 m-85 -96.5 151.57 19.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 72.54 110.947 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 2.7 mptt -98.36 112.21 24.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 72.23 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' 1467 ' ' VAL . 0.0 OUTLIER -72.59 75.62 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 73.23 110.934 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . 0.618 HD23 HD13 ' A' 1452 ' ' ILE . 10.3 tp -57.9 -65.58 0.62 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 74.35 110.899 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.415 ' HB3' ' HB3' ' A' 1464 ' ' TRP . 48.4 mt -122.87 160.12 26.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 61.13 110.924 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.679 ' HB2' HG21 ' A' 1467 ' ' VAL . 5.0 t60 -154.5 131.98 11.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 71.33 110.848 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . . . . . . . . . 10.1 t90 -151.31 145.85 25.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.33 110.917 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.1 112.18 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 73.12 110.898 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . 127.59 -48.3 0.98 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 72.54 112.497 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -148.13 -177.09 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 60.32 110.941 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 23.2 m -151.31 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.109 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.666 HG23 ' CE2' ' A' 1496 ' ' PHE . 42.9 mm -85.89 104.99 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 72.43 111.092 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 88.6 m -129.1 113.99 15.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.161 -0.472 . . . . 60.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . 0.572 ' HE2' HD13 ' A' 1481 ' ' LEU . 44.0 p90 -105.93 159.94 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.14 110.945 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . 0.412 ' HB2' ' CD1' ' A' 1478 ' ' TYR . . . -113.15 -160.2 0.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 72.43 111.076 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -46.48 -37.48 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.89 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -166.47 39.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 64.04 110.898 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 18.9 mmtm -149.86 113.07 4.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 72.33 110.892 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.666 ' CE2' HG23 ' A' 1489 ' ' ILE . 3.5 t80 -82.06 135.02 35.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 71.21 110.857 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -132.25 139.57 48.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 65.01 110.926 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.792 HG11 ' CE1' ' A' 1516 ' ' TYR . 2.5 p -117.66 89.96 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 72.04 111.125 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 70.8 t -65.34 142.83 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 51.12 111.148 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.447 ' HD2' HD12 ' A' 1505 ' ' LEU . 0.0 OUTLIER -113.1 -160.56 0.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.902 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . 0.484 HD22 ' N ' ' A' 1502 ' ' ASP . 0.2 OUTLIER -48.56 -28.11 3.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 62.25 110.897 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . 0.484 ' N ' HD22 ' A' 1501 ' ' ASN . 0.3 OUTLIER 177.79 35.77 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 74.03 110.854 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 21.4 t -147.3 152.03 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 70.23 111.126 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -96.05 168.03 10.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 43.43 111.095 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.455 ' HB2' HG13 ' A' 1498 ' ' VAL . 1.7 mt -160.0 86.76 1.98 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.664 0.745 . . . . 70.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 123.42 10.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 73.43 112.348 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.57 -175.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.869 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 6.8 t -126.65 -41.17 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.837 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -152.69 170.38 20.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 72.34 110.899 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.469 HD23 ' HD2' ' A' 1514 ' ' ARG . 0.6 OUTLIER -49.01 -49.23 42.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 75.53 110.925 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.24 -34.49 32.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 71.43 110.86 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.36 80.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 63.03 111.127 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . . . . . . . . . 11.6 t -57.82 -48.57 79.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.891 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.469 ' HD2' HD23 ' A' 1510 ' ' LEU . 3.6 mtp180 -69.2 -17.31 63.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.854 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -90.87 15.93 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 64.41 111.115 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.792 ' CE1' HG11 ' A' 1498 ' ' VAL . 1.6 m-85 -108.97 -18.72 13.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.92 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.651 ' H ' HD22 ' A' 1517 ' ' LEU . 0.0 OUTLIER -107.69 -41.22 5.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.923 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . 0.435 ' HG1' ' HE2' ' A' 1461 ' ' TYR . 0.2 OUTLIER -96.18 19.42 11.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.16 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.83 -35.23 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 55.23 110.837 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.66 -57.01 3.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 64.14 110.865 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . . . . . . . . . . . -153.07 116.29 4.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 50.43 111.119 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.15 111.117 179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.914 0.388 . . . . 52.13 110.865 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -118.48 166.41 12.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 75.3 110.849 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.17 -75.65 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1445 ' ' GLN . . . . . 0.718 HE21 HG23 ' A' 1449 ' ' THR . 4.6 pt20 44.2 -163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1446 ' ' THR . . . . . 0.463 HG22 ' HD2' ' A' 1447 ' ' PRO . 0.1 OUTLIER -123.4 161.43 45.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.545 0.688 . . . . 65.34 111.166 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1447 ' ' PRO . . . . . 0.692 ' O ' HD11 ' A' 1510 ' ' LEU . 53.6 Cg_endo -69.77 -25.31 28.67 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 73.52 112.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1448 ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -69.75 -31.7 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 65.01 110.857 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1449 ' ' THR . . . . . 0.718 HG23 HE21 ' A' 1445 ' ' GLN . 2.8 t -105.87 -0.57 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 55.41 111.093 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1450 ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.85 89.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 74.52 111.119 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1451 ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.44 -26.57 46.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 72.22 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1452 ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' 1449 ' ' THR . 34.5 mt -75.85 -46.53 35.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 64.54 111.137 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1453 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -46.79 -41.83 16.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 51.34 110.864 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1454 ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.26 -39.47 30.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.951 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1455 ' ' VAL . . . . . . . . . . . . . 3.8 t -97.27 -17.72 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 61.23 111.146 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1456 ' ' THR . . . . . 0.846 HG22 HD23 ' A' 1466 ' ' LEU . 5.9 m -67.36 -38.45 84.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 73.2 111.145 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1457 ' ' SER . . . . . . . . . . . . . 23.2 t -69.34 -11.3 60.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 63.04 110.854 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1458 ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -97.01 -11.34 24.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 54.34 110.865 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1459 ' ' GLY . . . . . . . . . . . . . . . 122.9 19.59 2.97 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.801 -0.714 . . . . 64.4 112.475 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1460 ' ' GLY . . . . . . . . . . . . . . . 89.71 170.7 44.56 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 65.13 112.469 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1461 ' ' TYR . . . . . 0.554 ' CD2' HD12 ' A' 1517 ' ' LEU . 0.2 OUTLIER -58.53 -173.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.938 0.399 . . . . 62.12 110.923 -179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1462 ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -50.67 -64.99 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 62.34 110.853 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1463 ' ' SER . . . . . 0.644 ' OG ' ' HB3' ' A' 1521 ' ' ALA . 0.2 OUTLIER -88.04 -32.61 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 53.11 110.885 -179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1464 ' ' TRP . . . . . 0.486 ' CD1' HD13 ' A' 1517 ' ' LEU . 34.2 m95 -75.04 134.03 41.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.932 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1465 ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -104.71 151.62 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 73.12 110.855 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1466 ' ' LEU . . . . . 0.846 HD23 HG22 ' A' 1456 ' ' THR . 0.6 OUTLIER -69.26 123.96 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 62.24 110.901 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1467 ' ' VAL . . . . . 0.759 ' N ' HD22 ' A' 1466 ' ' LEU . 32.8 m -144.94 -175.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.34 111.108 179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1468 ' ' SER . . . . . . . . . . . . . 7.6 p 177.96 64.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 75.15 110.871 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1469 ' ' GLY . . . . . . . . . . . . . . . -94.54 -14.11 51.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.698 -0.763 . . . . 70.04 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1470 ' ' ASP . . . . . . . . . . . . . 8.4 t70 63.27 105.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 73.42 110.857 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1471 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.58 136.82 46.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.42 110.913 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1472 ' ' ILE . . . . . . . . . . . . . 67.6 mt -111.25 126.58 68.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 74.34 111.139 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1473 ' ' VAL . . . . . . . . . . . . . 58.5 t -149.68 137.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 64.35 111.092 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1474 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 27.3 16.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 74.15 110.864 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1475 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.21 22.53 9.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 62.51 110.884 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1476 ' ' VAL . . . . . . . . . . . . . 35.2 t -120.55 81.27 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 54.43 111.057 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1477 ' ' CYS . . . . . . . . . . . . . 60.8 m -45.27 106.62 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 40.35 110.896 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1478 ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -93.28 -175.64 3.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.976 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1479 ' ' LYS . . . . . . . . . . . . . 1.1 mttt -133.83 112.12 11.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.945 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1480 ' ' LYS . . . . . 0.518 ' O ' HG23 ' A' 1467 ' ' VAL . 11.7 mtpt -70.98 75.09 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 74.31 110.916 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1481 ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.9 -47.73 85.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 63.55 110.884 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1482 ' ' LEU . . . . . 0.441 HD11 HG23 ' A' 1452 ' ' ILE . 83.2 mt -132.06 162.08 31.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.15 110.907 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1483 ' ' HIS . . . . . 0.664 ' HB2' HG21 ' A' 1467 ' ' VAL . 22.6 t-160 -158.99 123.68 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.864 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1484 ' ' TRP . . . . . 0.532 ' CH2' ' HB2' ' A' 1521 ' ' ALA . 8.9 t90 -103.35 -75.77 0.6 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.31 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.879 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1486 ' ' GLY . . . . . . . . . . . . . . . -88.37 -15.92 59.66 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.489 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1487 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.54 143.69 31.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 50.35 110.927 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1488 ' ' THR . . . . . . . . . . . . . 18.0 m -125.7 131.85 52.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 71.52 111.137 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1489 ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' 1496 ' ' PHE . 38.9 mm -79.33 116.7 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 72.53 111.116 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1490 ' ' CYS . . . . . . . . . . . . . 8.0 m -129.53 102.75 6.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 71.51 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1491 ' ' TYR . . . . . . . . . . . . . 29.3 p90 -99.87 133.61 43.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.934 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1492 ' ' ALA . . . . . . . . . . . . . . . -86.36 -154.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 65.15 111.056 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1493 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.66 -21.98 3.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 73.41 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1494 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -171.99 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.34 110.889 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1495 ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -78.61 120.96 24.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.901 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1496 ' ' PHE . . . . . 0.616 ' HE1' HG23 ' A' 1489 ' ' ILE . 3.6 t80 -86.33 137.22 32.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.915 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1497 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -134.45 140.29 46.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 74.52 110.966 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1498 ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' 1505 ' ' LEU . 2.5 p -116.73 89.95 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 74.43 111.146 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1499 ' ' VAL . . . . . . . . . . . . . 81.1 t -64.2 143.36 15.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 42.33 111.151 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1500 ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' 1505 ' ' LEU . 15.0 mtpt -114.26 -161.47 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 73.33 110.922 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1501 ' ' ASN . . . . . . . . . . . . . 2.2 p30 -48.44 -29.33 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 54.42 110.872 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1502 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.26 36.14 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.855 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1503 ' ' VAL . . . . . . . . . . . . . 16.7 t -148.38 153.98 10.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 62.24 111.144 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1504 ' ' ALA . . . . . . . . . . . . . . . -97.76 167.43 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.43 111.048 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1505 ' ' LEU . . . . . 0.603 HD22 ' OH ' ' A' 1516 ' ' TYR . 2.8 mt -158.93 85.83 2.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.58 0.705 . . . . 75.34 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1506 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 126.64 13.53 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.67 2.246 . . . . 71.12 112.355 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1507 ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.42 -177.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 70.41 110.861 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -124.54 -41.92 2.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 72.0 110.867 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' 1512 ' ' ALA . 50.6 m-20 -151.31 169.2 22.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 62.04 110.876 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' LEU . . . . . 0.692 HD11 ' O ' ' A' 1447 ' ' PRO . 0.3 OUTLIER -51.7 -45.53 63.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.933 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -56.32 -25.75 49.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 74.42 110.906 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1509 ' ' ASP . . . -75.77 -43.31 47.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 73.01 111.096 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' CYS . . . . . 0.449 ' SG ' HD11 ' A' 1452 ' ' ILE . 48.6 t -64.93 -43.6 92.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 51.31 110.89 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' ARG . . . . . 0.523 ' HD2' HD23 ' A' 1510 ' ' LEU . 43.4 mtp180 -67.56 -22.17 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 71.01 110.838 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' ALA . . . . . . . . . . . . . . . -99.3 16.73 22.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 54.3 111.131 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' TYR . . . . . 0.603 ' OH ' HD22 ' A' 1505 ' ' LEU . 0.1 OUTLIER -108.55 -30.31 8.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.35 110.917 -179.871 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.554 HD12 ' CD2' ' A' 1461 ' ' TYR . 0.4 OUTLIER -73.77 -47.45 38.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 64.01 110.891 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.93 -20.29 53.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 73.32 111.1 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' SER . . . . . . . . . . . . . 10.4 t -78.76 -33.22 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 73.12 110.856 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -51.9 38.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 73.42 110.916 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' ALA . . . . . 0.644 ' HB3' ' OG ' ' A' 1463 ' ' SER . . . -162.64 155.21 19.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 75.45 111.097 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 72.22 111.074 -179.984 . . . . . . . . 0 0 . 1 stop_ save_