data_1ysx_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ysx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 385' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.329 . . . . 64.43 110.904 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -49.64 -30.92 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 63.62 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.27 -31.58 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 45.47 110.96 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' ILE . . . . . . . . . . . . . 1.3 mm -76.26 -40.41 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 46.27 111.15 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.24 -39.83 82.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 42.96 110.922 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -38.48 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 150.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.26 -35.86 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 50.95 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.37 -43.93 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 55.12 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.18 -36.53 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 134.31 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.34 -37.42 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 62.34 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' A' ' 434' ' ' GLY . 0.9 OUTLIER -57.08 -42.56 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 49.72 110.889 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.27 -32.98 59.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 130.65 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -39.55 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 112.27 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' LEU . . . . . . . . . . . . . 2.8 mp -99.92 -63.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 46.65 110.909 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 151.26 -152.98 24.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 47.78 112.508 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -100.54 -43.92 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 78.67 110.887 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -72.51 -55.2 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 56.05 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -53.57 -49.13 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 86.64 110.942 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -48.82 -32.84 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 47.31 110.948 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.54 -35.69 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 50.97 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -36.77 47.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 51.53 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.45 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 48.7 111.07 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.91 -33.94 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 41.31 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.11 -57.34 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 48.87 110.914 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -31.21 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 34.52 111.135 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -76.85 -47.75 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 66.53 110.932 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.8 -43.5 88.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' THR . . . . . . . . . . . . . 9.1 p -59.83 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 61.74 110.864 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -66.23 -32.37 73.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 51.25 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.44 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 54.97 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' VAL . . . . . 0.43 HG21 ' H2 ' ' A' 1000 ' ' 4EB . 0.0 OUTLIER -125.66 83.55 61.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 61.52 111.103 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 143.51 42.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 57.64 112.38 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.35 44.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 48.66 111.027 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' VAL . . . . . . . . . . . . . 28.7 m -123.72 30.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 60.54 111.077 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 151.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 80.89 110.884 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' THR . . . . . 0.405 ' N ' ' CD ' ' A' ' 421' ' ' PRO . 0.2 OUTLIER -77.94 -52.99 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 46.93 111.112 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 420' ' ' THR . 73.8 Cg_exo -50.51 -40.99 53.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.523 2.149 . . . . 50.52 112.235 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' THR . . . . . 0.513 ' O ' ' H9 ' ' A' 1000 ' ' 4EB . 3.1 m -59.08 -57.95 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 63.53 110.902 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . 0.406 ' HA ' ' H7 ' ' A' 1000 ' ' 4EB . 0.7 OUTLIER -52.87 -33.55 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 51.71 110.881 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.41 -31.67 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 65.88 111.13 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.3 -53.42 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 137.82 110.94 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . 0.631 ' CG1' ' H8 ' ' A' 1000 ' ' 4EB . 11.1 m -83.25 -41.86 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 41.66 111.18 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' SER . . . . . . . . . . . . . 43.7 m -55.81 -56.85 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 82.19 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -49.95 -39.72 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 56.23 110.927 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.21 -54.75 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 61.7 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . . . . . . . . . 11.7 tp -49.91 -43.85 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 53.26 110.882 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . -63.36 -57.74 14.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 43.13 112.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -31.57 70.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 58.28 110.868 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.444 ' CG2' ' CD2' ' A' ' 452' ' ' TYR . 0.4 OUTLIER -50.11 -30.72 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 49.51 111.156 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 395' ' ' PHE . . . -49.07 -33.87 15.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 37.57 112.442 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.2 t -68.48 -31.39 70.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 78.3 110.912 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -62.46 -31.48 72.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 94.67 110.928 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' CYS . . . . . . . . . . . . . 10.0 p -120.08 96.03 5.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 58.38 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.42 73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 42.87 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.97 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 62.46 110.887 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 156.61 53.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 79.21 110.846 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 170.91 15.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 50.92 112.323 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -48.3 -31.44 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 102.3 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.75 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 44.05 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -98.09 9.37 43.03 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.237 -0.438 . . . . 48.63 111.853 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -73.3 -58.56 3.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 52.24 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' MET . . . . . . . . . . . . . 1.5 mtm -61.35 -54.0 57.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 42.27 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.03 -43.15 25.24 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.636 2.224 . . . . 25.57 112.353 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' CYS . . . . . . . . . . . . . 52.0 t -63.38 -32.19 73.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 62.6 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.86 -39.04 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 33.34 111.062 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.64 -31.8 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 52.49 110.872 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -61.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 132.18 110.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 453' ' ' LEU . 17.4 p90 -75.73 -38.24 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 82.21 110.865 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 452' ' ' TYR . 1.8 mt -49.95 -44.28 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 44.29 110.903 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 3.7 t -76.05 -31.71 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 76.67 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 1.6 t -69.57 -51.72 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.112 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.48 -61.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 41.55 111.137 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -48.82 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 42.24 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -55.98 -35.2 66.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -73.0 -40.42 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 85.83 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.42 -32.11 71.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 46.76 110.9 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -49.69 -57.62 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 54.38 110.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.2 -37.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 69.41 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.22 -56.4 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 66.26 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -54.47 -44.2 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 67.57 110.927 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -48.57 -42.17 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 137.29 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -31.45 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 82.86 110.874 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 6.3 m -107.08 84.14 1.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 70.64 110.948 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.1 71.1 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.289 . . . . 93.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 2.7 p -122.34 165.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 59.5 111.096 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' SER . . . . . . . . . . . . . 2.4 m 69.99 -174.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.8 110.878 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -137.73 -76.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.75 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -48.47 -33.31 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 66.55 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' VAL . . . . . . . . . . . . . 42.5 t -83.53 -31.23 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 46.58 111.086 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -53.48 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 77.47 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -50.73 -36.73 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 80.38 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.04 29.11 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 48.7 110.998 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' CYS . . . . . . . . . . . . . 47.9 t -82.94 -33.87 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 49.11 110.779 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.8 t -127.43 99.02 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 63.69 110.893 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -167.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 97.34 110.945 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 33.9 t -98.72 32.53 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.6 144.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.917 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 80.37 -3.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.0 -0.545 . . . . 64.0 112.431 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.63 31.52 1.66 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 64.53 110.925 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -82.6 -54.31 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 67.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 486' ' ' PRO . 3.4 mtp180 -66.46 -54.11 26.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 38.88 111.014 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 485' ' ' ARG . 86.5 Cg_exo -46.53 -45.41 19.49 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.618 2.212 . . . . 75.1 112.331 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -31.59 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 59.84 110.902 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.76 -57.96 3.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 48.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -40.26 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 37.56 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -62.05 -31.23 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 51.74 111.07 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.63 136.02 45.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 38.1 110.851 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -176.21 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 106.56 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 43.6 t -48.3 143.74 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 68.84 111.146 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -120.07 -44.63 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.46 110.884 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.27 48.08 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 136.56 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' THR . . . . . . . . . . . . . 68.7 p -95.83 49.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 92.18 110.945 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.71 96.68 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 89.6 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 499' ' ' PRO . 0.6 OUTLIER -88.56 -49.82 0.41 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 93.85 111.66 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 498' ' ' VAL . 88.2 Cg_endo -85.49 174.41 6.87 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.478 2.119 . . . . 86.09 112.475 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 166.61 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 116.62 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -121.34 106.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 108.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.57 30.89 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 87.23 110.888 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.6 94.1 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 117.67 110.87 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -82.35 -31.18 29.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 87.76 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.02 -41.42 98.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 98.79 110.905 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.63 -179.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 94.25 110.857 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' PHE . . . . . . . . . . . . . 13.5 t80 65.66 118.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 85.95 110.917 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.72 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 80.15 110.922 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.52 -53.69 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 96.19 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.1 156.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 128.41 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.15 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 92.85 111.094 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -32.15 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 115.8 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 6.8 tt -49.12 -32.57 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 97.32 111.154 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.04 38.79 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 100.21 110.936 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 97.2 m -153.0 -48.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 93.08 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 106.01 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 97.55 110.878 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.8 m 62.78 104.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 104.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.35 -43.13 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 110.59 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -34.88 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.847 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.86 -31.38 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 125.64 110.936 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -34.53 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 102.28 110.938 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -55.8 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 83.1 110.953 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.4 mt -78.68 -46.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 50.9 111.114 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -50.41 -56.03 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.06 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.21 73.46 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 50.66 110.892 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 60.18 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -32.05 73.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 39.92 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.67 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 57.88 111.053 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -72.95 -33.12 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 44.4 110.863 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.29 -40.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 53.98 111.106 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.39 -40.7 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 49.99 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -34.98 74.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.33 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.71 -45.45 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 45.87 111.168 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -64.56 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 42.6 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.71 -31.75 68.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 118.21 110.867 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 84.24 1.04 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.59 110.879 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.77 173.45 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.751 2.3 . . . . 60.28 112.272 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 70.19 93.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 78.94 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -122.42 171.74 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 56.51 111.11 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.73 109.05 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 61.1 110.967 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -40.96 97.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.0 -42.0 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 150.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -76.38 -33.52 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 89.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -39.79 90.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.3 110.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -58.38 -38.79 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 61.09 110.893 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.27 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 69.47 111.058 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.98 -31.83 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 46.29 111.093 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -35.41 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 55.44 110.893 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.59 -37.92 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 104.86 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -73.24 -33.75 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 103.22 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -33.33 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 58.29 110.926 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.58 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 87.4 111.137 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.73 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 102.88 111.125 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -48.41 -54.73 12.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 89.52 110.944 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' VAL . . . . . . . . . . . . . 2.1 p -58.36 -32.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 78.82 111.169 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -59.02 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 80.09 110.885 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -71.78 -28.7 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 116.39 111.092 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.2 m -46.93 -29.88 2.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 109.5 111.037 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.24 72.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 110.48 110.933 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.09 33.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 108.24 110.825 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ALA . . . . . . . . . . . . . . . -138.93 166.21 25.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 107.68 111.079 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -65.52 -43.89 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 136.48 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.5 58.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 143.82 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.97 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 107.76 110.84 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -51.7 55.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 150.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.7 m -68.38 -38.8 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 124.26 110.915 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -47.96 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 87.17 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.01 -40.32 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 77.16 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 82.36 111.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.37 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 83.33 110.906 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.69 -39.15 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 111.79 110.916 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.38 89.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 79.82 112.498 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -77.18 -41.37 41.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 76.52 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -51.18 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 105.48 110.956 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' LEU . . . . . . . . . . . . . 9.8 tp -54.18 -43.25 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 78.01 110.908 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.75 -32.23 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 66.91 111.153 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.61 96.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 58.81 111.123 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.66 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 57.41 111.11 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 2.9 m -69.24 -41.32 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 80.57 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -38.15 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 41.05 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ALA . . . . . . . . . . . . . . . -64.44 -57.48 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.89 111.059 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' ALA . . . . . . . . . . . . . . . 174.25 167.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 83.1 111.083 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.61 71.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 64.9 110.893 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -1.246 . . . . 97.89 112.494 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1000 ' ' 4EB . . . . . 0.631 ' H8 ' ' CG1' ' A' ' 426' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 385' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.329 . . . . 64.430000000000007 110.904 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -49.64 -30.92 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 63.619999999999997 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 387' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 388' ' ' ILE . 0.2 OUTLIER -48.27 -31.58 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 45.469999999999999 110.96 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 388' ' ' ILE . . . . . 0.458 ' N ' HD23 ' A' ' 387' ' ' LEU . 1.3 mm -76.26 -40.41 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 46.270000000000003 111.15 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.24 -39.83 82.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 42.960000000000001 110.922 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -38.48 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 150.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 391' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.26 -35.86 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 50.950000000000003 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.37 -43.93 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 55.119999999999997 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.18 -36.53 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 134.31 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.34 -37.42 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 62.340000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 434' ' ' GLY . 0.9 OUTLIER -57.08 -42.56 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 49.719999999999999 110.889 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.27 -32.98 59.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 130.65000000000001 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -39.55 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 112.27 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 402' ' ' LYS . 2.8 mp -99.92 -63.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 46.649999999999999 110.909 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 151.26 -152.98 24.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 47.780000000000001 112.508 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -100.54 -43.92 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 78.670000000000002 110.887 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -72.51 -55.2 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 56.049999999999997 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' LYS . . . . . 0.492 ' HB3' HD23 ' A' ' 398' ' ' LEU . 16.6 mttm -53.57 -49.13 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 86.640000000000001 110.942 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -48.82 -32.84 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 47.310000000000002 110.948 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -71.54 -35.69 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 50.969999999999999 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -36.77 47.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 51.530000000000001 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.45 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 48.700000000000003 111.07 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.91 -33.94 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 41.310000000000002 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.11 -57.34 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 48.869999999999997 110.914 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -31.21 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 34.520000000000003 111.135 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -76.85 -47.75 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 66.530000000000001 110.932 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.8 -43.5 88.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 63.439999999999998 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' THR . . . . . 0.754 HG22 HD13 ' A' ' 423' ' ' LEU . 9.1 p -59.83 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 61.740000000000002 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -66.23 -32.37 73.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 51.25 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.44 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 54.969999999999999 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' VAL . . . . . 0.705 ' HB ' HG11 ' A' ' 418' ' ' VAL . 0.0 OUTLIER -125.66 83.55 61.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 61.520000000000003 111.103 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 416' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 143.51 42.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 57.640000000000001 112.38 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.35 44.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 48.659999999999997 111.027 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' VAL . . . . . 0.705 HG11 ' HB ' ' A' ' 415' ' ' VAL . 28.7 m -123.72 30.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 60.539999999999999 111.077 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 151.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 80.890000000000001 110.884 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 424' ' ' VAL . 0.2 OUTLIER -77.94 -52.99 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 46.93 111.112 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 421' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 420' ' ' THR . 73.8 Cg_exo -50.51 -40.99 53.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.523 2.149 . . . . 50.520000000000003 112.235 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' THR . . . . . 0.446 HG22 ' C40' ' A' 1000 ' ' 4EB . 3.1 m -59.08 -57.95 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 63.530000000000001 110.902 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.754 HD13 HG22 ' A' ' 412' ' ' THR . 0.7 OUTLIER -52.87 -33.55 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 51.710000000000001 110.881 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 424' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 420' ' ' THR . 24.0 t -76.41 -31.67 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 65.879999999999995 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.3 -53.42 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 137.81999999999999 110.94 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' VAL . . . . . 0.637 ' CG2' ' H9 ' ' A' 1000 ' ' 4EB . 11.1 m -83.25 -41.86 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 41.659999999999997 111.18 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' SER . . . . . 0.453 ' N ' HG23 ' A' ' 426' ' ' VAL . 43.7 m -55.81 -56.85 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 82.189999999999998 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -49.95 -39.72 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 56.229999999999997 110.927 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.21 -54.75 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 61.700000000000003 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.449 ' O ' HG12 ' A' ' 433' ' ' VAL . 11.7 tp -49.91 -43.85 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 53.259999999999998 110.882 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . -63.36 -57.74 14.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 43.130000000000003 112.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -31.57 70.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 58.280000000000001 110.868 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 452' ' ' TYR . 0.4 OUTLIER -50.11 -30.72 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 49.509999999999998 111.156 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 395' ' ' PHE . . . -49.07 -33.87 15.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 37.57 112.442 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.2 t -68.48 -31.39 70.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 78.299999999999997 110.912 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -62.46 -31.48 72.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 94.670000000000002 110.928 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' CYS . . . . . . . . . . . . . 10.0 p -120.08 96.03 5.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 58.380000000000003 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.42 73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 42.869999999999997 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.97 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 62.460000000000001 110.887 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 156.61 53.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 79.209999999999994 110.846 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 170.91 15.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 50.920000000000002 112.323 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -48.3 -31.44 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 102.3 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.75 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 44.049999999999997 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -98.09 9.37 43.03 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.237 -0.438 . . . . 48.630000000000003 111.853 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -73.3 -58.56 3.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 52.240000000000002 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' MET . . . . . . . . . . . . . 1.5 mtm -61.35 -54.0 57.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 42.270000000000003 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.03 -43.15 25.24 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.636 2.224 . . . . 25.57 112.353 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' CYS . . . . . . . . . . . . . 52.0 t -63.38 -32.19 73.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 62.600000000000001 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.86 -39.04 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 33.340000000000003 111.062 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.64 -31.8 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 52.490000000000002 110.872 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -61.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 132.18000000000001 110.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' TYR . . . . . 0.468 ' CG ' HG21 ' A' ' 433' ' ' VAL . 17.4 p90 -75.73 -38.24 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 82.209999999999994 110.865 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 452' ' ' TYR . 1.8 mt -49.95 -44.28 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 44.289999999999999 110.903 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 3.7 t -76.05 -31.71 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 76.670000000000002 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 456' ' ' VAL . 1.6 t -69.57 -51.72 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 75.519999999999996 111.112 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.405 ' N ' HG12 ' A' ' 455' ' ' VAL . 40.1 t -48.48 -61.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 41.549999999999997 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -48.82 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 42.240000000000002 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -55.98 -35.2 66.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.420000000000002 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -73.0 -40.42 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 85.829999999999998 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 464' ' ' HIS . 0.7 OUTLIER -60.42 -32.11 71.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 46.759999999999998 110.9 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 461' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -49.69 -57.62 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 54.380000000000003 110.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.2 -37.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 69.409999999999997 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.22 -56.4 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 66.260000000000005 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' HIS . . . . . 0.415 ' HB2' HD23 ' A' ' 460' ' ' LEU . 1.0 OUTLIER -54.47 -44.2 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 67.569999999999993 110.927 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -48.57 -42.17 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 137.28999999999999 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -31.45 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 82.859999999999999 110.874 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 6.3 m -107.08 84.14 1.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 70.640000000000001 110.948 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.1 71.1 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.289 . . . . 93.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.467 HG13 ' OG ' ' A' ' 470' ' ' SER . 2.7 p -122.34 165.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 59.5 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' SER . . . . . 0.467 ' OG ' HG13 ' A' ' 469' ' ' VAL . 2.4 m 69.99 -174.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.799999999999997 110.878 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -137.73 -76.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.75 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -48.47 -33.31 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 66.549999999999997 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 415' ' ' VAL . 42.5 t -83.53 -31.23 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 46.579999999999998 111.086 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -53.48 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 77.469999999999999 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -50.73 -36.73 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 80.379999999999995 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.04 29.11 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 48.700000000000003 110.998 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' CYS . . . . . . . . . . . . . 47.9 t -82.94 -33.87 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 49.109999999999999 110.779 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 478' ' ' THR . 9.8 t -127.43 99.02 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 63.689999999999998 110.893 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -167.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 97.340000000000003 110.945 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 33.9 t -98.72 32.53 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.319999999999993 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 482' ' ' VAL . 0.2 OUTLIER 63.6 144.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.549999999999997 110.917 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 482' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 482' ' ' VAL . 0.4 OUTLIER 80.37 -3.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.0 -0.545 . . . . 64.0 112.431 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.63 31.52 1.66 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 64.530000000000001 110.925 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -82.6 -54.31 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 67.140000000000001 110.86 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 486' ' ' PRO . 3.4 mtp180 -66.46 -54.11 26.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 38.880000000000003 111.014 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 486' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 485' ' ' ARG . 86.5 Cg_exo -46.53 -45.41 19.49 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.618 2.212 . . . . 75.099999999999994 112.331 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -31.59 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 59.840000000000003 110.902 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.76 -57.96 3.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 48.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -40.26 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 37.560000000000002 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -62.05 -31.23 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 51.740000000000002 111.07 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.63 136.02 45.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 38.100000000000001 110.851 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -176.21 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 106.56 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 43.6 t -48.3 143.74 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 68.840000000000003 111.146 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -120.07 -44.63 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.459999999999994 110.884 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.27 48.08 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 136.56 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 496' ' ' THR . . . . . . . . . . . . . 68.7 p -95.83 49.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 92.180000000000007 110.945 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.71 96.68 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 89.599999999999994 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 499' ' ' PRO . 0.6 OUTLIER -88.56 -49.82 0.41 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 93.849999999999994 111.66 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 499' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 498' ' ' VAL . 88.2 Cg_endo -85.49 174.41 6.87 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.478 2.119 . . . . 86.090000000000003 112.475 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 166.61 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 116.62 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -121.34 106.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 108.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.57 30.89 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 87.230000000000004 110.888 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.6 94.1 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 117.67 110.87 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -82.35 -31.18 29.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 87.760000000000005 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.02 -41.42 98.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 98.790000000000006 110.905 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 507' ' ' PHE . 0.6 OUTLIER -65.63 -179.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 94.25 110.857 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 507' ' ' PHE . . . . . 0.45 ' N ' HG23 ' A' ' 506' ' ' THR . 13.5 t80 65.66 118.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 85.950000000000003 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.72 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 80.150000000000006 110.922 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.52 -53.69 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 96.189999999999998 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.1 156.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 128.41 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.15 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 92.849999999999994 111.094 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -32.15 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 115.8 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 6.8 tt -49.12 -32.57 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 97.319999999999993 111.154 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.04 38.79 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 100.20999999999999 110.936 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 97.2 m -153.0 -48.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 93.079999999999998 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 106.01 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 97.549999999999997 110.878 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.8 m 62.78 104.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 104.20999999999999 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.35 -43.13 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 110.59 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -34.88 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.510000000000005 110.847 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.86 -31.38 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 125.64 110.936 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -34.53 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 102.28 110.938 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -55.8 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 83.099999999999994 110.953 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.4 mt -78.68 -46.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 50.899999999999999 111.114 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -50.41 -56.03 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.060000000000002 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.21 73.46 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 50.659999999999997 110.892 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 60.18 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -32.05 73.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 39.920000000000002 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.67 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 57.880000000000003 111.053 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LEU . . . . . 0.43 ' N ' HD22 ' A' ' 529' ' ' LEU . 3.6 mm? -72.95 -33.12 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 44.399999999999999 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.29 -40.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 53.979999999999997 111.106 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.39 -40.7 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 49.990000000000002 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -34.98 74.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.329999999999998 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.71 -45.45 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 45.869999999999997 111.168 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -64.56 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 42.600000000000001 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.71 -31.75 68.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 118.20999999999999 110.867 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 84.24 1.04 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.590000000000003 110.879 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.77 173.45 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.751 2.3 . . . . 60.280000000000001 112.272 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 70.19 93.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 78.939999999999998 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -122.42 171.74 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 56.509999999999998 111.11 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.73 109.05 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 61.100000000000001 110.967 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -40.96 97.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.0 -42.0 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 150.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -76.38 -33.52 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 89.109999999999999 110.92 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -39.79 90.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.299999999999997 110.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -58.38 -38.79 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 61.090000000000003 110.893 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.27 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 69.469999999999999 111.058 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.98 -31.83 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 46.289999999999999 111.093 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -35.41 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 55.439999999999998 110.893 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.59 -37.92 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 104.86 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -73.24 -33.75 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 103.22 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' PHE . . . . . 0.699 ' O ' HG12 ' A' ' 555' ' ' VAL . 0.4 OUTLIER -64.45 -33.33 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 58.289999999999999 110.926 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.58 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 87.400000000000006 111.137 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.73 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 102.88 111.125 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -48.41 -54.73 12.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 89.519999999999996 110.944 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 551' ' ' PHE . 2.1 p -58.36 -32.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 78.819999999999993 111.169 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -59.02 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 80.090000000000003 110.885 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.633 ' HE3' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -71.78 -28.7 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 116.39 111.092 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.2 m -46.93 -29.88 2.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 109.5 111.037 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.24 72.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 110.48 110.933 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.09 33.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 108.23999999999999 110.825 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ALA . . . . . 0.633 ' HB2' ' HE3' ' A' ' 557' ' ' LYS . . . -138.93 166.21 25.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 107.68000000000001 111.079 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -65.52 -43.89 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 136.47999999999999 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.5 58.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 143.81999999999999 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.97 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 107.76000000000001 110.84 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -51.7 55.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 150.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.7 m -68.38 -38.8 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 124.26000000000001 110.915 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -47.96 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 87.170000000000002 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.01 -40.32 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 77.159999999999997 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 82.359999999999999 111.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.37 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 83.329999999999998 110.906 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.69 -39.15 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 111.79000000000001 110.916 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.38 89.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 79.819999999999993 112.498 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -77.18 -41.37 41.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 76.519999999999996 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -51.18 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 105.48 110.956 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 575' ' ' LEU . 9.8 tp -54.18 -43.25 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 78.010000000000005 110.908 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.75 -32.23 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 66.909999999999997 111.153 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.61 96.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 58.810000000000002 111.123 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.66 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 57.409999999999997 111.11 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 2.9 m -69.24 -41.32 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 80.569999999999993 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -38.15 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 41.049999999999997 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 582' ' ' ALA . . . -64.44 -57.48 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.890000000000001 111.059 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 582' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 581' ' ' ALA . . . 174.25 167.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 83.099999999999994 111.083 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.61 71.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 64.900000000000006 110.893 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -1.246 . . . . 97.890000000000001 112.494 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1000 ' ' 4EB . . . . . 0.637 ' H9 ' ' CG2' ' A' ' 426' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 385' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.79 0.329 . . . . 64.43 110.904 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -49.64 -30.92 9.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 63.62 110.902 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 388' ' ' ILE . 0.2 OUTLIER -48.27 -31.58 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 45.47 110.96 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' ILE . . . . . 0.458 ' N ' HD23 ' A' ' 387' ' ' LEU . 1.3 mm -76.26 -40.41 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 46.27 111.15 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -68.24 -39.83 82.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 42.96 110.922 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -38.48 49.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 150.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' ASN . . . . . . . . . . . . . 30.8 m120 -80.26 -35.86 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 50.95 110.904 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.37 -43.93 98.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 55.12 110.9 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -73.18 -36.53 66.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 134.31 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -70.34 -37.42 74.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 62.34 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.403 ' CE1' ' HA3' ' A' ' 434' ' ' GLY . 0.9 OUTLIER -57.08 -42.56 80.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 49.72 110.889 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -76.27 -32.98 59.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 130.65 110.908 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -39.55 94.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 112.27 110.895 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' A' ' 402' ' ' LYS . 2.8 mp -99.92 -63.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 46.65 110.909 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' GLY . . . . . . . . . . . . . . . 151.26 -152.98 24.68 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 47.78 112.508 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -100.54 -43.92 6.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 78.67 110.887 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -72.51 -55.2 7.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 56.05 110.912 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' LYS . . . . . 0.492 ' HB3' HD23 ' A' ' 398' ' ' LEU . 16.6 mttm -53.57 -49.13 68.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 86.64 110.942 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -48.82 -32.84 9.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 47.31 110.948 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -71.54 -35.69 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 50.97 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.69 -36.77 47.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 51.53 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ALA . . . . . . . . . . . . . . . -80.38 -54.45 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 48.7 111.07 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.91 -33.94 67.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 41.31 110.883 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 8.7 mt -59.11 -57.34 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 48.87 110.914 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -55.27 -31.21 26.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 34.52 111.135 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -76.85 -47.75 20.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 66.53 110.932 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -65.8 -43.5 88.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 63.44 110.85 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' THR . . . . . 0.754 HG22 HD13 ' A' ' 423' ' ' LEU . 9.1 p -59.83 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 61.74 110.864 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -66.23 -32.37 73.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 51.25 110.895 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -60.44 -48.01 83.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 54.97 110.892 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' VAL . . . . . 0.705 ' HB ' HG11 ' A' ' 418' ' ' VAL . 0.0 OUTLIER -125.66 83.55 61.96 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 61.52 111.103 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.59 143.51 42.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 57.64 112.38 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.35 44.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 48.66 111.027 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' VAL . . . . . 0.705 HG11 ' HB ' ' A' ' 415' ' ' VAL . 28.7 m -123.72 30.72 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 60.54 111.077 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.04 151.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 80.89 110.884 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' THR . . . . . 0.626 ' O ' HG23 ' A' ' 424' ' ' VAL . 0.2 OUTLIER -77.94 -52.99 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 46.93 111.112 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 420' ' ' THR . 73.8 Cg_exo -50.51 -40.99 53.98 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.523 2.149 . . . . 50.52 112.235 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' THR . . . . . 0.446 HG22 ' C40' ' A' 1000 ' ' 4EB . 3.1 m -59.08 -57.95 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 63.53 110.902 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.754 HD13 HG22 ' A' ' 412' ' ' THR . 0.7 OUTLIER -52.87 -33.55 50.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 51.71 110.881 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 420' ' ' THR . 24.0 t -76.41 -31.67 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 65.88 111.13 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -51.3 -53.42 36.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 137.82 110.94 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . 0.637 ' CG2' ' H9 ' ' A' 1000 ' ' 4EB . 11.1 m -83.25 -41.86 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 41.66 111.18 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' SER . . . . . 0.453 ' N ' HG23 ' A' ' 426' ' ' VAL . 43.7 m -55.81 -56.85 15.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 82.19 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -49.95 -39.72 41.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 56.23 110.927 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -71.21 -54.75 9.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 61.7 110.852 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.449 ' O ' HG12 ' A' ' 433' ' ' VAL . 11.7 tp -49.91 -43.85 49.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 53.26 110.882 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLY . . . . . . . . . . . . . . . -63.36 -57.74 14.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 43.13 112.422 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -31.57 70.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.8 0.334 . . . . 58.28 110.868 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.468 HG21 ' CG ' ' A' ' 452' ' ' TYR . 0.4 OUTLIER -50.11 -30.72 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 49.51 111.156 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 395' ' ' PHE . . . -49.07 -33.87 15.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 37.57 112.442 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.2 t -68.48 -31.39 70.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.887 0.375 . . . . 78.3 110.912 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -62.46 -31.48 72.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 94.67 110.928 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' CYS . . . . . . . . . . . . . 10.0 p -120.08 96.03 5.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 58.38 110.912 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.42 73.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 42.87 110.923 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.97 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 62.46 110.887 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.63 156.61 53.11 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 79.21 110.846 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.71 170.91 15.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.661 2.241 . . . . 50.92 112.323 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -48.3 -31.44 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 102.3 110.934 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ALA . . . . . . . . . . . . . . . -57.5 -52.75 64.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 44.05 111.113 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -98.09 9.37 43.03 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.237 -0.438 . . . . 48.63 111.853 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -73.3 -58.56 3.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 120.803 0.335 . . . . 52.24 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . . . . . . . . . 1.5 mtm -61.35 -54.0 57.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 42.27 111.055 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -47.03 -43.15 25.24 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.636 2.224 . . . . 25.57 112.353 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' CYS . . . . . . . . . . . . . 52.0 t -63.38 -32.19 73.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 62.6 110.896 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -80.86 -39.04 27.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 33.34 111.062 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -48.64 -31.8 7.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 52.49 110.872 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -61.68 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 132.18 110.866 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' TYR . . . . . 0.468 ' CG ' HG21 ' A' ' 433' ' ' VAL . 17.4 p90 -75.73 -38.24 58.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 82.21 110.865 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' A' ' 452' ' ' TYR . 1.8 mt -49.95 -44.28 50.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 44.29 110.903 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 3.7 t -76.05 -31.71 58.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 76.67 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 456' ' ' VAL . 1.6 t -69.57 -51.72 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 75.52 111.112 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.405 ' N ' HG12 ' A' ' 455' ' ' VAL . 40.1 t -48.48 -61.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 41.55 111.137 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.51 -48.82 37.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 42.24 110.858 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -55.98 -35.2 66.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.877 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -73.0 -40.42 65.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 85.83 110.863 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 464' ' ' HIS . 0.7 OUTLIER -60.42 -32.11 71.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 46.76 110.9 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -49.69 -57.62 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 54.38 110.946 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 3.2 p -81.2 -37.66 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 69.41 111.138 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.22 -56.4 20.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 66.26 110.903 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' HIS . . . . . 0.415 ' HB2' HD23 ' A' ' 460' ' ' LEU . 1.0 OUTLIER -54.47 -44.2 72.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 67.57 110.927 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -48.57 -42.17 32.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 137.29 110.87 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -31.45 71.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 82.86 110.874 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' THR . . . . . . . . . . . . . 6.3 m -107.08 84.14 1.55 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 70.64 110.948 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.1 71.1 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.733 2.289 . . . . 93.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.467 HG13 ' OG ' ' A' ' 470' ' ' SER . 2.7 p -122.34 165.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 59.5 111.096 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' SER . . . . . 0.467 ' OG ' HG13 ' A' ' 469' ' ' VAL . 2.4 m 69.99 -174.26 0.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 64.8 110.878 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -137.73 -76.08 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 72.75 110.848 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ARG . . . . . . . . . . . . . 24.0 mtt85 -48.47 -33.31 9.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 66.55 110.897 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' VAL . . . . . 0.406 HG21 ' CG1' ' A' ' 415' ' ' VAL . 42.5 t -83.53 -31.23 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 46.58 111.086 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.9 -53.48 7.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 77.47 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -50.73 -36.73 37.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 80.38 110.889 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 1.5 m -98.04 29.11 3.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 48.7 110.998 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' CYS . . . . . . . . . . . . . 47.9 t -82.94 -33.87 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.319 -0.4 . . . . 49.11 110.779 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.573 ' O ' HG23 ' A' ' 478' ' ' THR . 9.8 t -127.43 99.02 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 63.69 110.893 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.79 -167.92 1.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 97.34 110.945 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' SER . . . . . . . . . . . . . 33.9 t -98.72 32.53 2.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.897 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 482' ' ' VAL . 0.2 OUTLIER 63.6 144.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 75.55 110.917 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' VAL . . . . . 0.492 ' O ' HG13 ' A' ' 482' ' ' VAL . 0.4 OUTLIER 80.37 -3.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.0 -0.545 . . . . 64.0 112.431 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -141.63 31.52 1.66 Allowed 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.875 0.369 . . . . 64.53 110.925 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -82.6 -54.31 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 67.14 110.86 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' ARG . . . . . 0.401 ' N ' ' CD ' ' A' ' 486' ' ' PRO . 3.4 mtp180 -66.46 -54.11 26.16 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 38.88 111.014 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 485' ' ' ARG . 86.5 Cg_exo -46.53 -45.41 19.49 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.618 2.212 . . . . 75.1 112.331 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.99 -31.59 72.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 59.84 110.902 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -77.76 -57.96 3.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 48.0 110.89 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -40.26 75.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 37.56 110.865 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -62.05 -31.23 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 51.74 111.07 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.63 136.02 45.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 38.1 110.851 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.9 -176.21 2.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 106.56 110.903 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' VAL . . . . . . . . . . . . . 43.6 t -48.3 143.74 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 68.84 111.146 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -120.07 -44.63 2.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 65.46 110.884 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 52.27 48.08 23.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 136.56 110.911 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' THR . . . . . . . . . . . . . 68.7 p -95.83 49.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 92.18 110.945 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.71 96.68 3.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 89.6 110.885 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' VAL . . . . . 0.419 ' N ' ' CD ' ' A' ' 499' ' ' PRO . 0.6 OUTLIER -88.56 -49.82 0.41 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 93.85 111.66 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 498' ' ' VAL . 88.2 Cg_endo -85.49 174.41 6.87 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.478 2.119 . . . . 86.09 112.475 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.97 166.61 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 116.62 110.922 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -121.34 106.52 11.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.408 . . . . 108.0 110.949 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.57 30.89 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 87.23 110.888 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.6 94.1 9.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 117.67 110.87 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -82.35 -31.18 29.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 87.76 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -62.02 -41.42 98.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 98.79 110.905 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 507' ' ' PHE . 0.6 OUTLIER -65.63 -179.21 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 94.25 110.857 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' PHE . . . . . 0.45 ' N ' HG23 ' A' ' 506' ' ' THR . 13.5 t80 65.66 118.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 85.95 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.72 176.32 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 80.15 110.922 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -107.52 -53.69 2.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 96.19 110.882 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.1 156.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 128.41 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.15 42.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 92.85 111.094 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.25 -32.15 10.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 115.8 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' ILE . . . . . . . . . . . . . 6.8 tt -49.12 -32.57 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 97.32 111.154 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.04 38.79 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 100.21 110.936 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' THR . . . . . . . . . . . . . 97.2 m -153.0 -48.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 93.08 110.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -87.7 106.01 17.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 97.55 110.878 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 15.8 m 62.78 104.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 104.21 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -71.35 -43.13 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 110.59 110.931 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.76 -34.88 20.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 73.51 110.847 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.86 -31.38 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 125.64 110.936 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -34.53 17.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 102.28 110.938 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -55.8 9.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 83.1 110.953 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' ILE . . . . . . . . . . . . . 27.4 mt -78.68 -46.06 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 50.9 111.114 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -50.41 -56.03 13.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 64.06 110.926 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.21 73.46 3.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 50.66 110.892 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -176.9 -45.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 60.18 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.21 -32.05 73.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 39.92 110.859 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' ALA . . . . . . . . . . . . . . . -48.41 -48.67 36.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 57.88 111.053 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LEU . . . . . 0.43 HD22 ' N ' ' A' ' 529' ' ' LEU . 3.6 mm? -72.95 -33.12 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 44.4 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.29 -40.8 87.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 53.98 111.106 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -56.39 -40.7 75.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 49.99 110.879 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.38 -34.98 74.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 45.33 110.889 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' VAL . . . . . . . . . . . . . 17.6 t -68.71 -45.45 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 45.87 111.168 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' LYS . . . . . . . . . . . . . 7.4 mttp -64.56 -39.13 93.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 42.6 110.914 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -70.71 -31.75 68.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 118.21 110.867 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.62 84.24 1.04 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 71.59 110.879 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.77 173.45 0.1 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.751 2.3 . . . . 60.28 112.272 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 70.19 93.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 78.94 110.893 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' ALA . . . . . . . . . . . . . . . -122.42 171.74 8.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 56.51 111.11 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.73 109.05 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 61.1 110.967 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -40.96 97.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 71.42 110.951 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.0 -42.0 84.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 150.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -76.38 -33.52 58.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 89.11 110.92 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.9 -39.79 90.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 52.3 110.905 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -58.38 -38.79 78.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 61.09 110.893 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -60.48 -52.27 65.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 69.47 111.058 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' VAL . . . . . . . . . . . . . 48.9 t -58.98 -31.83 46.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 46.29 111.093 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -35.41 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 55.44 110.893 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -75.59 -37.92 59.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 104.86 110.879 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -73.24 -33.75 65.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 103.22 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' PHE . . . . . 0.699 ' O ' HG12 ' A' ' 555' ' ' VAL . 0.4 OUTLIER -64.45 -33.33 75.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 58.29 110.926 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' ALA . . . . . . . . . . . . . . . -60.14 -32.58 71.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 87.4 111.137 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ALA . . . . . . . . . . . . . . . -79.67 -48.73 13.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 102.88 111.125 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -48.41 -54.73 12.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 89.52 110.944 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 551' ' ' PHE . 2.1 p -58.36 -32.68 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 78.82 111.169 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.23 -59.02 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 80.09 110.885 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.633 ' HE3' ' HB2' ' A' ' 561' ' ' ALA . 0.8 OUTLIER -71.78 -28.7 63.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 116.39 111.092 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' CYS . . . . . . . . . . . . . 7.2 m -46.93 -29.88 2.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.302 -0.408 . . . . 109.5 111.037 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' CYS . . . . . . . . . . . . . 42.2 t -142.24 72.13 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 110.48 110.933 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -168.09 33.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 108.24 110.825 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ALA . . . . . 0.633 ' HB2' ' HE3' ' A' ' 557' ' ' LYS . . . -138.93 166.21 25.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 107.68 111.079 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -65.52 -43.89 88.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 136.48 110.85 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -111.5 58.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 143.82 110.924 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -31.97 71.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 107.76 110.84 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -52.0 -51.7 55.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 150.0 110.831 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' THR . . . . . . . . . . . . . 17.7 m -68.38 -38.8 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 124.26 110.915 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.49 -47.96 80.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 87.17 110.874 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -50.01 -40.32 44.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 77.16 110.9 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ALA . . . . . . . . . . . . . . . -79.21 -61.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 82.36 111.094 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -51.37 -62.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.437 . . . . 83.33 110.906 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -60.69 -39.15 87.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 111.79 110.916 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.38 89.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.752 . . . . 79.82 112.498 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -77.18 -41.37 41.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.827 0.346 . . . . 76.52 110.883 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -51.18 37.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 105.48 110.956 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' LEU . . . . . 0.47 ' HA ' HD12 ' A' ' 575' ' ' LEU . 9.8 tp -54.18 -43.25 70.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 78.01 110.908 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.75 -32.23 54.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 66.91 111.153 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' ALA . . . . . . . . . . . . . . . -64.26 -40.61 96.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 58.81 111.123 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' ALA . . . . . . . . . . . . . . . -73.3 -38.66 65.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 57.41 111.11 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' SER . . . . . . . . . . . . . 2.9 m -69.24 -41.32 77.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 80.57 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -38.15 60.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 41.05 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ALA . . . . . 0.485 ' O ' ' HB2' ' A' ' 582' ' ' ALA . . . -64.44 -57.48 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 75.89 111.059 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 581' ' ' ALA . . . 174.25 167.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 83.1 111.083 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.61 71.6 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 64.9 110.893 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.358 -1.246 . . . . 97.89 112.494 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' 4EB . . . . . 0.637 ' H9 ' ' CG2' ' A' ' 426' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_