data_1wel_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 1wel _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.411 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 476' ' ' VAL . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.448 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.448 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.496 HG12 ' CE1' ' A' ' 478' ' ' PHE . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 464' ' ' TYR . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.435 ' CE1' HG23 ' A' ' 462' ' ' ILE . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 476' ' ' VAL . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.591 ' CD1' ' CZ ' ' A' ' 494' ' ' TYR . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.433 ' CD1' ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . 0.407 ' C ' ' HB3' ' A' ' 470' ' ' ALA . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 476' ' ' VAL . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.423 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.473 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 439' ' ' PHE . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 446' ' ' VAL . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.423 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 497' ' ' ASN . 8.3 t30 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.418 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 516' ' ' MET . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.565 HG22 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.414 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.533 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 432' ' ' VAL . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.451 HG21 ' CG1' ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.451 ' CG1' HG21 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.561 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 500' ' ' ILE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 516' ' ' MET . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . 0.421 ' C ' ' HB1' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.507 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 459' ' ' SER . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 464' ' ' TYR . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.444 ' CZ ' HG21 ' A' ' 462' ' ' ILE . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 471' ' ' THR . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 465' ' ' GLY . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.507 ' CG2' ' CG1' ' A' ' 446' ' ' VAL . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.522 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.401 HD12 ' CB ' ' A' ' 495' ' ' MET . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 506' ' ' THR . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 516' ' ' MET . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.462 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 449' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.427 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 442' ' ' GLU . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.47 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.556 ' CD2' HD23 ' A' ' 434' ' ' LEU . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.47 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.441 HG12 ' CE1' ' A' ' 478' ' ' PHE . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 459' ' ' SER . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 476' ' ' VAL . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.441 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.406 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 500' ' ' ILE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 449' ' ' PHE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CD1' ' HE2' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 478' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.46 HG22 ' CG1' ' A' ' 476' ' ' VAL . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 459' ' ' SER . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 463' ' ' ALA . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . 0.429 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.408 HG21 ' C ' ' A' ' 463' ' ' ALA . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 483' ' ' ASP . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.477 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.431 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.427 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 501' ' ' GLN . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 516' ' ' MET . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 455' ' ' ILE . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 450' ' ' PHE . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.516 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.43 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.443 ' CB ' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.602 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.443 HD13 ' CB ' ' A' ' 495' ' ' MET . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . 0.405 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.516 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.674 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.674 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.533 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.423 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.44 ' CG1' HG22 ' A' ' 476' ' ' VAL . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.479 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.457 ' HB3' ' CD1' ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 478' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 460' ' ' ILE . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 455' ' ' ILE . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 446' ' ' VAL . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 453' ' ' LEU . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.533 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.46 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 461' ' ' TYR . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 516' ' ' MET . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.454 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 478' ' ' PHE . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.574 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 464' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.462 ' CZ ' HG23 ' A' ' 462' ' ' ILE . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.434 ' N ' HG21 ' A' ' 471' ' ' THR . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 465' ' ' GLY . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 446' ' ' VAL . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 436' ' ' GLY . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 516' ' ' MET . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 478' ' ' PHE . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.443 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.49 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 450' ' ' PHE . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.467 HG23 ' CZ ' ' A' ' 464' ' ' TYR . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.467 ' CZ ' HG23 ' A' ' 462' ' ' ILE . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 471' ' ' THR . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 465' ' ' GLY . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.49 ' CG2' ' CG1' ' A' ' 446' ' ' VAL . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 437' ' ' LEU . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 516' ' ' MET . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.403 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 478' ' ' PHE . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.502 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 463' ' ' ALA . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 462' ' ' ILE . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 471' ' ' THR . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 465' ' ' GLY . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.45 HD23 ' CE1' ' A' ' 484' ' ' TYR . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.477 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 436' ' ' GLY . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.502 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 478' ' ' PHE . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 434' ' ' LEU . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 460' ' ' ILE . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 455' ' ' ILE . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.46 HG23 ' CE1' ' A' ' 464' ' ' TYR . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 462' ' ' ILE . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 477' ' ' GLU . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 506' ' ' THR . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.453 ' N ' ' HG3' ' A' ' 516' ' ' MET . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.454 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 449' ' ' PHE . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 478' ' ' PHE . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.493 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 471' ' ' THR . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 465' ' ' GLY . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.435 ' CG1' HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.501 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.493 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 449' ' ' PHE . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.547 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.552 ' N ' ' HD1' ' A' ' 445' ' ' HIS . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.552 ' HD1' ' N ' ' A' ' 442' ' ' GLU . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 476' ' ' VAL . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.495 ' CE2' HD21 ' A' ' 434' ' ' LEU . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 446' ' ' VAL . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.403 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.49 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 500' ' ' ILE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . 0.413 HG21 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.426 ' CD ' HD13 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.426 HD13 ' CD ' ' A' ' 507' ' ' LYS . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.439 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 461' ' ' TYR . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.435 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 434' ' ' LEU . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 478' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.429 ' CG2' HG11 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 453' ' ' LEU . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.567 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 494' ' ' TYR . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 501' ' ' GLN . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 500' ' ' ILE . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . 0.501 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.435 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 516' ' ' MET . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.568 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.423 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.57 ' CD1' ' HE3' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.412 ' CE2' HG23 ' A' ' 432' ' ' VAL . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.457 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.49 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.409 ' NH1' HG21 ' A' ' 456' ' ' VAL . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 488' ' ' LEU . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.57 ' HE3' ' CD1' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.534 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.46 ' N ' HD13 ' A' ' 500' ' ' ILE . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.441 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 459' ' ' SER . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.401 ' HB2' ' CD1' ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.405 ' CD ' HD12 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . 0.405 HD12 ' CD ' ' A' ' 507' ' ' LYS . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.42 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.496 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 476' ' ' VAL . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.425 ' CE2' HG23 ' A' ' 432' ' ' VAL . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.515 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' A' ' 464' ' ' TYR . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.417 ' CZ ' HG22 ' A' ' 462' ' ' ILE . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 446' ' ' VAL . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.404 ' N ' HG11 ' A' ' 476' ' ' VAL . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 487' ' ' ALA . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.414 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.515 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.415 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . 0.46 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 476' ' ' VAL . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 483' ' ' ASP . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 478' ' ' PHE . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.44 HG21 ' CZ ' ' A' ' 464' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . 0.44 ' CZ ' HG21 ' A' ' 462' ' ' ILE . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . 0.513 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 464' ' ' TYR . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 446' ' ' VAL . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . 0.423 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 478' ' ' PHE . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . 0.458 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . 0.458 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.561 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 436' ' ' GLY . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 449' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' PHE . . . . . 0.478 ' CE2' HD22 ' A' ' 434' ' ' LEU . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 450' ' ' PHE . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 477' ' ' GLU . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 476' ' ' VAL . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' TYR . . . . . 0.538 ' CE1' HD23 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' GLN . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' MET . . . . . 0.426 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 461' ' ' TYR . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 516' ' ' MET . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 59.8 p -86.46 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 36.2 p -52.92 -44.61 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 45.95 -158.65 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.2 t -143.02 152.89 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.7 p -144.41 173.43 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -105.28 156.74 16.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -121.47 114.74 21.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 29.5 t -125.92 80.6 67.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.53 63.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 13.6 m -155.3 150.66 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 417' ' ' GLN . . . 89.11 -42.84 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' GLY . 0.1 OUTLIER 37.04 39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -132.41 152.89 51.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.44 164.17 21.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 57.2 p -126.56 146.68 50.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -127.5 179.88 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 93.0 p -123.08 129.14 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.409 ' NH1' ' HB2' ' A' ' 423' ' ' ARG . 11.8 ttm105 -71.57 -59.04 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -132.66 143.98 51.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.74 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -131.7 159.07 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.79 149.5 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -174.4 141.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -73.22 -152.62 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.445 ' CE2' ' HD2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.445 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.411 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.447 ' CG1' HG21 ' A' ' 476' ' ' VAL . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.448 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.448 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.496 HG12 ' CE1' ' A' ' 478' ' ' PHE . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.435 HG23 ' CE1' ' A' ' 464' ' ' TYR . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . 0.407 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.435 ' CE1' HG23 ' A' ' 462' ' ' ILE . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.403 ' N ' HG12 ' A' ' 476' ' ' VAL . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.496 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.509 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.483 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.591 ' CD1' ' CZ ' ' A' ' 494' ' ' TYR . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.433 ' CD1' ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.68 -40.74 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -56.21 -15.32 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -89.78 -26.38 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 93.1 mt -94.11 -29.11 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.88 132.98 45.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 41.7 m -113.23 104.06 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.43 149.13 14.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.42 36.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.311 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 42.3 m -76.75 133.72 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.3 t -56.0 -50.34 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 55.6 m -142.28 178.61 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 44.1 p -148.4 161.77 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -119.89 142.11 15.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.0 t -142.58 176.09 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.7 p -144.5 169.38 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.59 95.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -117.88 126.04 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 55.0 p -119.25 142.03 31.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 121.64 8.35 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 32.8 p -170.38 143.77 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -178.93 87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -146.4 142.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.34 43.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.17 111.17 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.6 p -156.56 141.6 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -114.96 150.48 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 45.2 m -72.86 -56.88 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -51.3 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -63.3 150.32 89.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -75.86 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 48.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . 38.22 33.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 101.65 -165.85 18.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.563 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.459 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . 0.407 ' C ' ' HB3' ' A' ' 470' ' ' ALA . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.467 HG12 ' CG2' ' A' ' 476' ' ' VAL . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.423 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.473 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . 0.407 ' HB3' ' C ' ' A' ' 439' ' ' PHE . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.467 ' CG2' HG12 ' A' ' 446' ' ' VAL . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.423 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.415 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 497' ' ' ASN . 8.3 t30 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.418 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.418 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.473 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 516' ' ' MET . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -59.52 -51.12 71.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -54.72 -30.87 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -68.23 -21.17 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 54.5 mt -103.23 -33.17 9.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -97.87 37.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 91.1 p -42.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -69.56 -94.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.55 21.41 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 47.9 t -106.37 92.89 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 t -160.37 155.59 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 1.8 m -172.11 152.64 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 60.0 p -169.94 177.46 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 151.79 125.52 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 125.71 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 1.1 t -165.49 140.33 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.62 77.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -144.64 168.43 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -159.1 142.54 10.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.44 16.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.3 t -134.15 135.17 42.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 148.93 88.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -166.53 142.94 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -141.66 143.57 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -124.05 150.18 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 39.9 m -163.2 133.08 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.85 -175.79 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.3 p -118.86 49.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -79.83 77.21 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 71.3 m -141.08 144.2 34.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.754 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 426' ' ' HIS . 54.0 Cg_endo -69.79 165.38 31.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 425' ' ' PRO . 11.1 t-160 -36.1 -60.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -143.17 165.14 28.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -173.67 154.41 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -69.32 -167.69 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.565 HG22 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.414 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.533 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.467 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 432' ' ' VAL . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.451 HG21 ' CG1' ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.561 ' CE2' HG21 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.451 ' CG1' HG21 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.561 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.466 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.47 HD11 ' N ' ' A' ' 500' ' ' ILE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . 0.414 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.561 HG21 ' CE2' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.443 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.443 ' N ' ' HG3' ' A' ' 516' ' ' MET . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -48.84 -50.27 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -53.39 -46.18 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -51.11 -39.33 55.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 39.0 mt -82.33 -68.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -39.93 140.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.8 m -79.09 -51.2 9.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.24 146.02 10.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -43.35 2.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 40.2 m -59.13 99.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 m -118.09 145.62 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 50.4 p -121.2 143.3 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 151.6 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -155.36 -151.48 5.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 71.0 m -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.4 m -81.05 -60.82 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 165.53 -159.12 32.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -113.38 129.59 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 8.7 t -173.93 142.23 0.88 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 177.86 5.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 56.5 p -129.36 85.15 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 140.28 31.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.25 88.2 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -71.69 169.98 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -115.29 -55.9 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.3 t -168.94 175.02 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -88.47 111.35 21.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 t -41.58 133.76 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -80.04 -61.08 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.1 t -122.21 142.38 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . 0.598 ' O ' ' CD2' ' A' ' 426' ' ' HIS . 53.4 Cg_endo -69.81 89.3 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 425' ' ' PRO . 41.9 m-70 -171.0 139.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -102.52 157.04 17.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -119.43 -52.78 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 156.69 -163.25 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.467 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.503 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.464 ' O ' ' CB ' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . 0.421 ' C ' ' HB1' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.507 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.44 ' C ' ' O ' ' A' ' 459' ' ' SER . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.541 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.444 HG21 ' CZ ' ' A' ' 464' ' ' TYR . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.444 ' CZ ' HG21 ' A' ' 462' ' ' ILE . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.411 ' N ' HG21 ' A' ' 471' ' ' THR . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.411 HG21 ' N ' ' A' ' 465' ' ' GLY . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.507 ' CG2' ' CG1' ' A' ' 446' ' ' VAL . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.522 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.401 HD12 ' CB ' ' A' ' 495' ' ' MET . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 506' ' ' THR . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.44 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.44 ' N ' ' HG3' ' A' ' 516' ' ' MET . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -52.43 -52.09 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -45.86 -49.89 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -44.81 -42.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.38 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -53.76 148.51 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 524' ' ' GLY . 20.8 p -117.63 132.76 56.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 523' ' ' SER . . . 33.95 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 523' ' ' SER . 53.9 Cg_endo -69.69 151.19 69.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 24.5 m -98.39 -50.06 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 40.5 t -135.15 134.75 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 73.5 m -147.54 136.66 22.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 77.6 p -89.46 154.13 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 85.47 93.95 0.79 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 51.6 p -109.49 134.8 51.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.7 m -171.22 172.64 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.24 109.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -45.99 151.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.5 m -132.65 85.77 46.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.69 48.83 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.5 m -46.45 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 123.86 90.4 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -77.74 143.29 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -112.11 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 38.9 38.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.9 p -92.17 83.94 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -82.07 91.84 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.2 t -116.31 150.88 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -107.83 128.59 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 63.8 p -121.73 80.74 40.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.636 0.732 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.88 37.95 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -43.72 161.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.05 172.07 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -129.18 121.05 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.06 -134.54 7.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.462 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.556 HD23 ' CD2' ' A' ' 449' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.427 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 442' ' ' GLU . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.47 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.556 ' CD2' HD23 ' A' ' 434' ' ' LEU . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.44 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.47 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.441 HG12 ' CE1' ' A' ' 478' ' ' PHE . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 459' ' ' SER . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.462 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.444 ' N ' HG12 ' A' ' 476' ' ' VAL . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.441 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.564 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.406 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.565 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.565 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.45 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.512 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 500' ' ' ILE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' MET . . . . . 0.449 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -49.61 -56.8 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -41.23 -43.28 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -53.11 -42.42 65.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 522' ' ' GLN . 30.3 mt -82.42 -57.83 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 521' ' ' LEU . 63.7 mm-40 -36.5 -52.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.2 m 60.7 42.23 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.39 176.06 47.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.9 3.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.4 m -97.95 42.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.0 p 38.12 42.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.3 p -132.02 149.89 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 82.9 p -147.97 166.75 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -176.2 88.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 14.1 t -105.65 158.34 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.938 0.399 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 21.5 t -54.74 135.26 47.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.13 -73.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -43.15 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 95.7 p -169.63 144.47 2.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.13 43.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.1 t -61.07 -45.13 96.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 126.44 95.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -147.82 122.42 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -79.03 142.37 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 97.0 p -98.65 114.66 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 5.0 t -146.35 142.72 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 423' ' ' ARG . 0.1 OUTLIER -77.83 -59.86 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 70.9 m -131.52 144.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -84.65 77.77 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.32 131.35 2.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -127.71 123.73 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 56.31 163.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.48 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.56 HD22 ' CE2' ' A' ' 449' ' ' PHE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.455 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.455 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.442 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CD1' ' HE2' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.406 HD11 ' CE1' ' A' ' 478' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.46 HG22 ' CG1' ' A' ' 476' ' ' VAL . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 459' ' ' SER . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.429 HG21 ' N ' ' A' ' 463' ' ' ALA . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . 0.429 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.408 HG21 ' C ' ' A' ' 463' ' ' ALA . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.544 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.48 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 483' ' ' ASP . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.477 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.544 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.431 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.431 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.427 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.562 ' HE2' ' CD1' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.427 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.409 HG23 ' N ' ' A' ' 501' ' ' GLN . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.418 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.418 ' N ' ' HG3' ' A' ' 516' ' ' MET . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -57.81 -64.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.05 -54.98 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 520' ' ' ARG . 0.8 OUTLIER -38.65 -40.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.47 -57.42 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -44.02 -43.3 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.4 p -90.4 137.73 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -77.83 167.4 53.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -24.66 29.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 41.1 p -122.05 129.88 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -117.31 170.46 8.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 32.2 m -129.16 167.33 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 88.6 p -135.42 169.36 17.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 79.79 161.0 22.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 5.3 t -69.37 83.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 3.3 m -60.73 153.1 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -60.59 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 158.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 6.1 m -120.46 87.63 41.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.55 14.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.2 t -58.32 -67.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 152.28 178.53 27.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -83.09 165.73 19.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -167.79 125.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.47 145.98 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.2 t -156.08 170.14 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -87.03 154.68 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 37.0 m -150.49 172.12 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -107.57 176.94 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.2 t -125.61 83.29 62.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.53 5.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 426' ' ' HIS . 1.4 p80 -61.33 97.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.72 154.54 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -157.43 126.28 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 57.18 -174.5 1.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.458 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.421 ' CB ' HD12 ' A' ' 455' ' ' ILE . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.421 HD12 ' CB ' ' A' ' 450' ' ' PHE . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.516 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.455 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.446 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . 0.563 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.568 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.43 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.446 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.443 ' CB ' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.602 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.443 HD13 ' CB ' ' A' ' 495' ' ' MET . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . 0.405 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.479 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.516 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.674 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.674 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 -58.45 -61.46 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.68 -37.18 49.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 522' ' ' GLN . 86.3 mt -76.29 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 521' ' ' LEU . 38.3 mt-30 -37.27 -49.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.7 m -58.54 113.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 164.42 -91.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.21 46.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.1 t -130.57 -53.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 173.79 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.467 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 19.8 m -146.51 149.49 33.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 22.1 p -155.45 140.1 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 164.59 166.23 23.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 15.2 m -124.2 114.6 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 80.5 p -89.52 102.47 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.1 122.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -130.53 -47.93 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 60.4 p -122.05 131.47 24.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.3 14.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t -129.54 90.62 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 173.13 -51.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -143.72 143.83 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -154.91 127.68 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 50.86 41.99 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 62.1 m -126.78 119.08 26.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -136.96 163.94 29.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 25.8 t -155.59 130.34 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 423' ' ' ARG . 25.4 mtm105 -135.46 167.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.0 p -150.09 143.82 16.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.689 0.757 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.96 36.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -50.8 128.6 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.0 142.42 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -171.24 169.4 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -67.87 -132.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.533 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.423 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.567 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.458 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.458 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.464 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.44 ' CG1' HG22 ' A' ' 476' ' ' VAL . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.479 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.457 ' HB3' ' CD1' ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.547 HD12 ' CE1' ' A' ' 478' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.465 HG23 ' CD1' ' A' ' 460' ' ' ILE . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 455' ' ' ILE . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.55 ' CE2' HG22 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 446' ' ' VAL . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.547 ' CE1' HD12 ' A' ' 453' ' ' LEU . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.533 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.46 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.517 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.479 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.55 HG22 ' CE2' ' A' ' 461' ' ' TYR . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.455 ' N ' ' HG3' ' A' ' 516' ' ' MET . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 519' ' ' LYS . 36.5 mtp85 -68.32 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 518' ' ' ARG . 43.7 mtpt -37.24 -50.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -52.72 -45.11 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 522' ' ' GLN . 76.1 mt -71.59 -53.56 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 521' ' ' LEU . 67.1 mm-40 -37.3 124.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 21.7 t -69.2 -53.6 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 175.17 146.1 5.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.1 m 43.12 44.52 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 -51.64 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 69.6 m -108.88 155.72 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 6.5 t -123.28 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 177.94 82.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.8 t -75.78 -53.9 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 46.7 m -78.03 93.5 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -44.29 139.11 4.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 412' ' ' LYS . 4.1 mptp? -62.1 114.83 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 18.9 m -81.96 137.31 46.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.5 t -148.78 155.8 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 121.3 81.0 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -137.37 109.22 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 140.03 58.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -94.78 33.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.2 m -96.06 156.63 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.31 -38.26 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.3 t -154.59 122.88 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.54 86.46 3.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.5 p -122.71 89.53 50.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.2 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -59.39 -68.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -159.73 133.94 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -170.34 165.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.66 -149.65 25.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.463 ' CD2' HG23 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.535 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.457 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.454 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.523 HD12 ' CE1' ' A' ' 478' ' ' PHE . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.574 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.514 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.462 HG23 ' CZ ' ' A' ' 464' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.462 ' CZ ' HG23 ' A' ' 462' ' ' ILE . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.434 ' N ' HG21 ' A' ' 471' ' ' THR . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.434 HG21 ' N ' ' A' ' 465' ' ' GLY . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 446' ' ' VAL . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.52 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . 0.402 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 436' ' ' GLY . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . 0.463 HG23 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.514 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.417 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.417 ' N ' ' HG3' ' A' ' 516' ' ' MET . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 519' ' ' LYS . 6.3 mtp-105 -55.17 -59.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mmmt -37.94 -55.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -41.9 -50.99 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.1 111.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 81.1 p -117.26 92.74 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 99.91 88.99 2.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.63 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.8 t -65.55 145.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.0 t -129.52 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 74.9 p -167.63 110.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 20.6 t -94.66 152.54 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -94.4 168.3 28.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -166.05 118.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 94.7 p -167.95 136.7 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -79.54 129.62 9.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 122.63 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 59.7 m -121.32 130.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 38.4 t -129.83 -44.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 80.18 135.5 1.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -147.54 137.14 22.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.76 123.37 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 170.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 50.7 p -100.33 155.18 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 421' ' ' ARG . 18.4 mtm105 -92.74 -42.08 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.0 t 51.12 53.47 12.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -113.06 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.485 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 1.0 OUTLIER -55.75 -60.16 9.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.697 0.76 . . . . 0.0 110.916 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.6 Cg_endo -69.85 135.4 30.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -116.91 -44.28 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.21 130.26 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -166.41 118.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.17 177.1 2.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.424 HG23 ' CE2' ' A' ' 478' ' ' PHE . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.519 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.443 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.415 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.49 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 450' ' ' PHE . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.467 HG23 ' CZ ' ' A' ' 464' ' ' TYR . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.467 ' CZ ' HG23 ' A' ' 462' ' ' ILE . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 471' ' ' THR . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . 0.406 ' HA ' ' CD2' ' A' ' 464' ' ' TYR . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 465' ' ' GLY . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.49 ' CG2' ' CG1' ' A' ' 446' ' ' VAL . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.432 ' NH1' ' O ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.525 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.459 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.443 HG13 ' N ' ' A' ' 437' ' ' LEU . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.509 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.425 ' N ' ' HG3' ' A' ' 516' ' ' MET . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -60.82 -57.63 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -37.66 -54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.68 -52.31 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.97 -44.99 94.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -50.07 106.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 33.7 m -161.21 149.61 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -169.25 -159.24 14.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -35.26 12.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 84.6 p -166.26 123.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.1 t -131.08 109.33 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.5 m -59.7 118.81 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 139.07 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -141.34 125.64 2.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 2.6 t -155.41 128.71 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 32.0 p -157.21 113.7 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.8 93.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -94.16 99.5 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 40.2 p -52.51 143.61 27.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m -102.6 80.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -50.52 121.5 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.83 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -132.7 121.87 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -160.57 157.12 26.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.1 p -139.9 124.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -111.72 138.36 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 38.5 p -127.64 164.03 22.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -143.52 152.94 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 87.0 p -155.99 143.71 14.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.63 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -58.43 161.26 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.37 121.03 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -122.35 115.56 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 38.77 -159.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.403 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.465 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 478' ' ' PHE . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.502 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 463' ' ' ALA . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . 0.412 ' N ' HG23 ' A' ' 462' ' ' ILE . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 471' ' ' THR . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 465' ' ' GLY . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.451 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.454 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.45 HD23 ' CE1' ' A' ' 484' ' ' TYR . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.545 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.545 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.418 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.477 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.403 HG13 ' C ' ' A' ' 436' ' ' GLY . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.502 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -67.17 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 518' ' ' ARG . 2.1 mmmp? -35.72 -55.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -42.93 -50.23 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.58 -52.29 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -45.61 130.28 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 39.3 m -122.26 101.04 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -173.53 -172.58 39.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.16 13.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 83.4 p -103.12 130.73 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.2 t -90.77 92.71 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 30.7 t -110.32 111.07 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 8.5 t -62.11 -55.18 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 118.29 -148.29 18.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.6 t -64.9 144.29 57.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 29.5 t -120.03 115.05 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 113.09 78.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -151.56 144.19 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 63.8 m -109.36 140.24 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.71 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 52.1 m -130.98 -50.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 102.72 72.92 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.04 164.98 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -106.61 130.93 54.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -134.14 146.4 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 26.8 p -107.05 159.47 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -175.06 157.06 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 4.8 t 65.2 36.48 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -23.86 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.3 m -173.67 133.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.71 48.52 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -120.12 166.59 13.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.67 107.46 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -172.03 161.78 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -65.84 -139.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.471 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 478' ' ' PHE . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.446 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 434' ' ' LEU . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 460' ' ' ILE . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 455' ' ' ILE . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.507 ' CE2' HG21 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.46 HG23 ' CE1' ' A' ' 464' ' ' TYR . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . 0.435 ' N ' HG21 ' A' ' 462' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.46 ' CE1' HG23 ' A' ' 462' ' ' ILE . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 477' ' ' GLU . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.466 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 506' ' ' THR . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.507 HG21 ' CE2' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.453 ' N ' ' HG3' ' A' ' 516' ' ' MET . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 -58.42 -53.86 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -41.43 -50.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -50.72 -42.63 57.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.84 -60.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -44.65 125.79 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 54.3 p 39.33 36.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.46 -158.06 34.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -12.72 33.54 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 91.9 p -93.04 134.86 34.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.7 t -79.48 120.5 23.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 68.0 m -124.27 160.32 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 65.1 p -161.0 179.98 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -78.46 54.29 4.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.6 t -91.85 160.15 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.0 t -132.86 154.38 50.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -42.71 152.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -131.55 154.61 48.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 38.2 m -105.93 143.95 27.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.91 36.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 35.4 t -137.15 148.94 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -134.57 -159.48 8.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -77.42 119.92 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -87.95 126.78 35.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -106.57 164.81 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 45.7 t -44.67 115.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -104.11 99.79 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.0 t -59.45 129.9 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -154.64 170.36 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 147.67 33.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.703 0.763 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -5.85 17.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.387 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -158.46 116.8 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -86.83 136.75 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -107.8 92.05 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.81 175.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.489 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.454 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.457 ' CZ ' ' CE1' ' A' ' 449' ' ' PHE . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.501 HG12 ' CE1' ' A' ' 478' ' ' PHE . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.493 ' CZ ' HG22 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . 0.449 ' N ' HG23 ' A' ' 471' ' ' THR . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 465' ' ' GLY . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.435 ' CG1' HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.501 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.489 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.558 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.493 HG22 ' CZ ' ' A' ' 461' ' ' TYR . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -54.55 -55.68 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -50.26 -44.67 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -51.43 -22.75 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.56 -43.34 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.42 34.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.3 t -81.16 98.13 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 177.74 146.33 6.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.09 10.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 27.7 t -129.45 -47.88 1.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.7 m -84.22 145.07 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 92.3 p -77.75 129.85 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 19.3 m 50.94 41.56 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -105.92 128.73 9.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.0 p -130.84 170.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -149.87 162.96 39.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.5 73.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -59.84 165.35 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 82.6 p -159.8 139.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.78 3.82 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 82.4 p -135.86 138.21 42.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 146.05 104.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.22 42.52 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -89.02 132.62 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 420' ' ' SER . 83.9 mtm180 -142.84 123.43 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 419' ' ' ARG . 57.7 m -35.27 -54.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . 0.443 ' CZ ' ' HB3' ' A' ' 421' ' ' ARG . 17.7 ttp-105 -93.18 101.6 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.5 t -103.58 -48.56 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -160.29 123.41 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.4 m -82.97 144.78 48.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.7 65.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -81.07 -48.88 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -159.52 116.23 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -165.21 143.3 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . -69.89 -124.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 449' ' ' PHE . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.547 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.444 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.552 ' N ' ' HD1' ' A' ' 445' ' ' HIS . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.552 ' HD1' ' N ' ' A' ' 442' ' ' GLU . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.456 HG11 ' CG2' ' A' ' 476' ' ' VAL . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.495 ' CE2' HD21 ' A' ' 434' ' ' LEU . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.43 ' O ' ' N ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.449 ' CE2' HG21 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.456 ' CG2' HG11 ' A' ' 446' ' ' VAL . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.403 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.468 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.49 ' CD1' ' CE1' ' A' ' 494' ' ' TYR . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 500' ' ' ILE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . 0.413 HG21 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.426 ' CD ' HD13 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . 0.443 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.426 HD13 ' CD ' ' A' ' 507' ' ' LYS . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.439 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.449 HG21 ' CE2' ' A' ' 461' ' ' TYR . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.435 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 521' ' ' LEU . 23.1 mtp180 -57.91 -60.4 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -37.34 -42.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.91 -41.65 97.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 518' ' ' ARG . 42.0 mt -71.28 -62.52 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -46.28 144.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 37.7 m -128.01 87.71 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -175.66 90.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.96 67.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 12.8 t -112.64 -48.73 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -67.87 97.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 60.6 m 50.04 42.17 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 17.4 m -85.73 171.75 11.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -109.82 146.08 17.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.2 m -95.42 127.85 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.1 t -92.69 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 104.25 -122.05 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -159.98 141.14 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 3.6 m -151.34 143.72 16.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.697 0.761 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.33 23.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -149.4 151.12 33.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 125.31 53.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -111.3 133.08 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -90.67 119.03 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -148.07 132.8 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 59.8 m -118.27 127.81 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -119.81 144.46 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 49.1 m -117.16 84.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.82 95.27 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 6.2 t -160.34 125.53 2.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.26 18.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -48.41 153.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -84.44 132.12 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -134.51 142.21 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -71.12 -162.78 4.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.564 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.564 ' CE2' HD21 ' A' ' 434' ' ' LEU . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 478' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.429 ' CG2' HG11 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.429 HG11 ' CG2' ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 453' ' ' LEU . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.432 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.521 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.567 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.567 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.471 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.488 ' CD1' ' CZ ' ' A' ' 494' ' ' TYR . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 501' ' ' GLN . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . 0.434 ' N ' HG21 ' A' ' 500' ' ' ILE . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . 0.501 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.435 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.435 ' N ' ' HG3' ' A' ' 516' ' ' MET . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.476 ' O ' ' NE2' ' A' ' 522' ' ' GLN . 40.5 mtt180 -80.94 -32.65 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -69.84 -45.18 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -57.27 -38.1 73.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.36 -49.06 75.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 518' ' ' ARG . 0.0 OUTLIER -46.99 131.76 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.9 t -135.51 130.36 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 129.33 148.03 6.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.78 19.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 527' ' ' SER . 72.1 m -121.93 132.97 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 526' ' ' SER . 32.8 t -36.79 110.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 25.8 p -129.13 159.32 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.9 m -101.08 120.93 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 150.78 99.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 60.1 m -109.89 175.18 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.6 m -86.02 155.76 20.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.73 44.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -162.19 123.15 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 74.5 p -115.96 142.15 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 415' ' ' SER . 53.8 Cg_endo -69.76 0.23 5.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 414' ' ' PRO . 1.1 t -34.67 113.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 78.47 77.48 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -120.67 39.33 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -130.22 128.71 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.52 133.15 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 6.0 m -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 421' ' ' ARG . 3.3 tmt_? -135.14 116.0 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 96.7 p -123.22 -43.51 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -50.77 125.78 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 49.6 m -141.2 139.68 19.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.77 3.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -71.08 -57.75 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -161.97 140.16 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -135.36 176.22 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -91.23 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.568 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.412 HG23 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.409 HD22 ' CZ ' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.498 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.423 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.43 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.459 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.57 ' CD1' ' HE3' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.412 ' CE2' HG23 ' A' ' 432' ' ' VAL . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.457 ' CG1' ' CE1' ' A' ' 478' ' ' PHE . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.49 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 432' ' ' VAL . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.409 ' NH1' HG21 ' A' ' 456' ' ' VAL . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.442 HD23 ' N ' ' A' ' 488' ' ' LEU . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.534 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.57 ' HE3' ' CD1' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.534 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.46 ' N ' HD13 ' A' ' 500' ' ' ILE . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . 0.412 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . 0.48 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.48 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.49 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 519' ' ' LYS . 60.0 mtp180 -60.33 -58.47 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 518' ' ' ARG . 30.4 mtpt -37.6 -57.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 520' ' ' ARG . 14.3 mtp-105 -48.79 -43.89 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.15 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -41.14 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.6 m -80.03 100.78 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -122.55 145.9 16.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.56 51.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.2 t -70.11 158.68 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.0 t -140.76 121.41 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 90.4 p -147.64 147.95 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 2.2 t -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -40.91 101.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 48.8 m -104.31 116.57 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.4 m -89.42 137.63 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.54 -179.19 41.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.24 126.25 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.778 0.323 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 26.6 t -157.5 138.94 9.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.66 0.743 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 176.49 6.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.394 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -133.79 154.93 50.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 162.63 162.93 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -93.13 150.47 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -123.86 151.62 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -124.29 132.21 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 88.7 p -78.22 89.52 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -49.67 -57.25 7.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.6 p -55.41 129.1 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.83 -60.06 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 425' ' ' PRO . 2.0 t 74.36 54.92 0.26 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 424' ' ' SER . 54.0 Cg_endo -69.79 -37.19 9.45 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.89 143.47 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.0 145.99 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -110.44 -52.28 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -154.94 -146.33 4.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.459 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.459 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.441 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.47 HG22 ' CG1' ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 459' ' ' SER . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.519 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.47 ' CG1' HG22 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.441 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.401 ' HB2' ' CD1' ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.401 ' CD1' ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.405 ' CD ' HD12 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' MET . . . . . 0.401 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . 0.405 HD12 ' CD ' ' A' ' 507' ' ' LYS . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.519 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 15.6 mtt-85 -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -65.56 -56.3 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -53.46 -39.42 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.42 -46.83 84.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -43.68 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 32.7 m -109.65 -47.05 3.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 173.84 63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.4 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 54.0 m -153.24 136.17 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -138.64 131.37 29.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 6.9 t -146.28 124.0 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 81.8 p -102.04 140.62 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -157.01 146.85 14.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.5 t -113.98 -49.77 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 14.0 t -61.05 117.08 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 166.99 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -120.01 134.64 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 24.8 p -52.29 143.15 26.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.51 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 84.5 p 47.63 52.79 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -131.58 92.83 0.29 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.73 149.82 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -103.39 173.35 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -103.31 136.14 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.3 p -120.02 117.78 28.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -139.26 158.29 44.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 m -135.53 172.22 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 24.6 ttp85 -84.58 41.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 55.9 p -171.29 144.07 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 115.99 4.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -109.19 -61.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 51.38 52.0 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -142.84 166.97 23.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.8 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.42 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.45 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.496 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.496 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 476' ' ' VAL . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.425 ' CE2' HG23 ' A' ' 432' ' ' VAL . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . . . . . . . . . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.515 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' A' ' 464' ' ' TYR . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.417 ' CZ ' HG22 ' A' ' 462' ' ' ILE . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 446' ' ' VAL . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.404 ' N ' HG11 ' A' ' 476' ' ' VAL . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 487' ' ' ALA . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.404 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.414 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.414 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.515 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.71 -49.91 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -44.15 -59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -40.26 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.0 -54.54 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -49.18 152.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.09 146.52 14.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.14 17.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 45.6 t -110.78 111.23 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.3 t -122.24 -53.6 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 8.6 t -169.92 149.61 3.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 58.9 p -133.51 174.6 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -160.12 138.66 5.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.7 t -110.66 175.17 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 20.7 m -162.03 149.5 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.95 63.82 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -91.27 37.45 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 57.5 p -115.37 81.36 8.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.829 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.49 5.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 64.0 p -133.7 113.07 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 119.86 67.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -83.77 40.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 41.93 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 153.38 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.2 m -70.86 119.31 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -120.12 147.07 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 83.9 p -171.09 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -113.06 -53.87 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.469 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 0.8 OUTLIER -73.08 -61.01 1.62 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.857 -179.795 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.8 Cg_endo -69.71 103.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -81.72 -49.85 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -173.78 124.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -139.34 113.33 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 45.5 -169.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.415 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . 0.46 ' HG2' ' CB ' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . 0.513 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . 0.46 ' CB ' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 476' ' ' VAL . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.423 ' CD2' ' HB2' ' A' ' 483' ' ' ASP . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 478' ' ' PHE . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.512 ' CZ ' HG21 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.44 HG21 ' CZ ' ' A' ' 464' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . 0.44 ' CZ ' HG21 ' A' ' 462' ' ' ILE . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . 0.513 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . 0.421 ' HB2' ' CE2' ' A' ' 464' ' ' TYR . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.42 HG21 ' CG1' ' A' ' 446' ' ' VAL . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . 0.423 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 478' ' ' PHE . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . 0.458 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . 0.458 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.462 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.561 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 436' ' ' GLY . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.512 HG21 ' CZ ' ' A' ' 461' ' ' TYR . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -64.09 -41.94 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -48.0 -31.21 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -73.03 -37.18 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 522' ' ' GLN . 32.3 mt -80.75 -58.45 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 523' ' ' SER . 1.0 OUTLIER -37.13 -45.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 522' ' ' GLN . 91.2 p -49.27 145.17 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 111.22 152.05 12.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 5.1 m 56.67 50.02 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.4 m 53.28 43.66 31.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 3.4 m -110.95 -43.72 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 74.2 m -84.76 133.84 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -154.37 -157.93 8.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 96.3 p -123.58 127.38 48.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 10.3 t -117.09 143.2 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 84.68 118.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -113.7 164.88 13.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 414' ' ' PRO . 68.3 p 44.26 54.16 11.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 413' ' ' SER . 53.9 Cg_endo -69.77 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.1 t -165.56 170.4 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 167.08 177.91 39.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -117.27 42.24 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.54 -47.26 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 51.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 13.3 p -77.49 -50.04 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -144.97 163.94 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 15.0 t -76.63 -59.36 2.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -159.01 163.56 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' SER . . . . . 0.443 ' HB3' ' CD2' ' A' ' 426' ' ' HIS . 1.6 t -101.4 127.58 31.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.53 36.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' HIS . . . . . 0.528 ' O ' ' CD2' ' A' ' 426' ' ' HIS . 0.1 OUTLIER -52.79 140.85 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -121.75 10.85 10.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -76.75 59.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 52.53 -165.45 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' LEU . . . . . 0.478 HD22 ' CE2' ' A' ' 449' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' PHE . . . . . 0.478 ' CE2' HD22 ' A' ' 434' ' ' LEU . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' PHE . . . . . 0.465 ' HB2' ' CD1' ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 450' ' ' PHE . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 477' ' ' GLU . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' GLU . . . . . 0.454 ' N ' HG13 ' A' ' 476' ' ' VAL . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' PHE . . . . . 0.501 ' CZ ' ' HB1' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' TYR . . . . . 0.538 ' CE1' HD23 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ALA . . . . . 0.501 ' HB1' ' CZ ' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLN . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' TYR . . . . . 0.513 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' MET . . . . . 0.426 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' MET . . . . . 0.501 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ILE . . . . . 0.55 HG23 ' CE2' ' A' ' 461' ' ' TYR . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 516' ' ' MET . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -70.05 -57.67 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -45.71 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -50.25 -48.67 54.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.91 -46.09 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -60.62 122.29 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 83.9 p -104.67 134.5 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 178.84 173.16 43.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 526' ' ' SER . 54.4 Cg_endo -69.66 2.68 3.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 525' ' ' PRO . 3.3 m -34.43 -52.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.2 p -90.64 105.22 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.576 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 462' ' ' ILE . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.459 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.576 ' HE2' HD11 ' A' ' 434' ' ' LEU . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 450' ' ' PHE . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.806 HG23 HG13 ' A' ' 476' ' ' VAL . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.526 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 446' ' ' VAL . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 455' ' ' ILE . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.502 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.937 ' C ' HD12 ' A' ' 500' ' ' ILE . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.937 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.604 ' HE3' HD11 ' A' ' 511' ' ' LEU . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.604 HD11 ' HE3' ' A' ' 507' ' ' LYS . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.526 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.606 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.606 ' HE2' HD11 ' A' ' 434' ' ' LEU . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 453' ' ' LEU . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 483' ' ' ASP . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.828 HG23 HG13 ' A' ' 476' ' ' VAL . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 456' ' ' VAL . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.828 HG13 HG23 ' A' ' 455' ' ' ILE . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.431 ' CE1' HG12 ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.663 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.424 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.909 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.909 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 434' ' ' LEU . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 514' ' ' ILE . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.551 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 447' ' ' ILE . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.465 HG11 HG23 ' A' ' 460' ' ' ILE . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 444' ' ' LYS . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.679 ' CB ' HD11 ' A' ' 455' ' ' ILE . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 452' ' ' LYS . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.807 HG23 HG13 ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.465 HG23 HG11 ' A' ' 446' ' ' VAL . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.477 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.47 ' CB ' HD13 ' A' ' 500' ' ' ILE . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.735 ' C ' HD12 ' A' ' 500' ' ' ILE . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.665 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.665 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 463' ' ' ALA . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.805 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.68 HG11 HG23 ' A' ' 460' ' ' ILE . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.585 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 450' ' ' PHE . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.836 HG23 HG13 ' A' ' 476' ' ' VAL . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.68 HG23 HG11 ' A' ' 446' ' ' VAL . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 446' ' ' VAL . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 517' ' ' ILE . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.836 HG13 HG23 ' A' ' 455' ' ' ILE . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.674 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.431 ' HB2' HD22 ' A' ' 453' ' ' LEU . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.674 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.585 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.737 ' C ' HD12 ' A' ' 500' ' ' ILE . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 509' ' ' GLY . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 505' ' ' ILE . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.763 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.597 HG21 ' HB1' ' A' ' 463' ' ' ALA . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 450' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 HG23 ' A' ' 460' ' ' ILE . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.48 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.681 ' CB ' HD11 ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 483' ' ' ASP . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.81 HG23 HG13 ' A' ' 476' ' ' VAL . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.476 HG23 HG11 ' A' ' 446' ' ' VAL . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.43 HD11 ' CG2' ' A' ' 446' ' ' VAL . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.652 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.81 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.453 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ASN . . . . . 0.57 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB2' HD22 ' A' ' 453' ' ' LEU . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 502' ' ' VAL . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.65 ' HB2' HD13 ' A' ' 500' ' ' ILE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.775 ' C ' HD12 ' A' ' 500' ' ' ILE . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' A' ' 488' ' ' LEU . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 514' ' ' ILE . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 463' ' ' ALA . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.499 HD22 HG21 ' A' ' 500' ' ' ILE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.642 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 447' ' ' ILE . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 444' ' ' LYS . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.749 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.841 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 450' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 450' ' ' PHE . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 455' ' ' ILE . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 484' ' ' TYR . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 453' ' ' LEU . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 488' ' ' LEU . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.749 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.827 ' C ' HD12 ' A' ' 500' ' ' ILE . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.827 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.764 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.764 HD11 ' HE2' ' A' ' 507' ' ' LYS . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 463' ' ' ALA . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.664 HD11 ' CE2' ' A' ' 450' ' ' PHE . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.516 HG11 HG23 ' A' ' 460' ' ' ILE . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 434' ' ' LEU . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 483' ' ' ASP . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.811 HG23 HG13 ' A' ' 476' ' ' VAL . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.516 HG23 HG11 ' A' ' 446' ' ' VAL . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.54 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.811 HG13 HG23 ' A' ' 455' ' ' ILE . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 455' ' ' ILE . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ASN . . . . . 0.641 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.458 ' HB2' HD22 ' A' ' 453' ' ' LEU . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.418 ' CE1' ' H ' ' A' ' 502' ' ' VAL . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.738 ' HB2' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.831 ' C ' HD12 ' A' ' 500' ' ' ILE . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.418 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.418 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 517' ' ' ILE . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.691 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 514' ' ' ILE . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.691 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 500' ' ' ILE . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.779 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 444' ' ' LYS . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.693 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.964 ' HB3' HD12 ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 453' ' ' LEU . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.892 HG23 HG13 ' A' ' 476' ' ' VAL . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.557 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.892 HG13 HG23 ' A' ' 455' ' ' ILE . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.552 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.693 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.6 ' C ' HD12 ' A' ' 500' ' ' ILE . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 490' ' ' ARG . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.594 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.594 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.897 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 514' ' ' ILE . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' PHE . . . . . 0.788 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.55 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.499 ' CB ' HD11 ' A' ' 455' ' ' ILE . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 453' ' ' LEU . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 483' ' ' ASP . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 476' ' ' VAL . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.608 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.454 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 455' ' ' ILE . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.51 ' HB2' HD22 ' A' ' 453' ' ' LEU . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.556 ' CB ' HD13 ' A' ' 500' ' ' ILE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.741 ' C ' HD12 ' A' ' 500' ' ' ILE . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 514' ' ' ILE . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.608 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.595 HD13 ' HB2' ' A' ' 463' ' ' ALA . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 476' ' ' VAL . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 500' ' ' ILE . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.452 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.615 ' CB ' HD11 ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 483' ' ' ASP . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 476' ' ' VAL . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 456' ' ' VAL . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.443 HG23 HG11 ' A' ' 446' ' ' VAL . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.613 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 439' ' ' PHE . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.401 ' HE2' HG11 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.71 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.489 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.844 ' C ' HD12 ' A' ' 500' ' ' ILE . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 434' ' ' LEU . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 517' ' ' ILE . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 514' ' ' ILE . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.462 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 500' ' ' ILE . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.583 HG22 ' HE2' ' A' ' 451' ' ' LYS . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 434' ' ' LEU . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.583 ' HE2' HG22 ' A' ' 447' ' ' ILE . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 450' ' ' PHE . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.661 ' CG2' HG13 ' A' ' 476' ' ' VAL . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.661 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 455' ' ' ILE . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.571 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.5 ' HB2' HD13 ' A' ' 500' ' ' ILE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.514 ' C ' HD12 ' A' ' 500' ' ' ILE . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.586 HG21 HD22 ' A' ' 434' ' ' LEU . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 514' ' ' ILE . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 517' ' ' ILE . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 514' ' ' ILE . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 476' ' ' VAL . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 444' ' ' LYS . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.609 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.861 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 450' ' ' PHE . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 471' ' ' THR . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 504' ' ' PRO . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.609 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 500' ' ' ILE . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 505' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 509' ' ' GLY . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.638 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' GLY . . . . . 0.422 ' C ' HD11 ' A' ' 505' ' ' ILE . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' MET . . . . . 0.579 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.638 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.509 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 463' ' ' ALA . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.496 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.525 HD11 ' HE2' ' A' ' 450' ' ' PHE . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 500' ' ' ILE . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.503 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 447' ' ' ILE . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 444' ' ' LYS . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.911 ' HB3' HD12 ' A' ' 453' ' ' LEU . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.621 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 450' ' ' PHE . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 476' ' ' VAL . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.569 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 471' ' ' THR . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.425 ' O ' HG21 ' A' ' 502' ' ' VAL . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.729 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.583 ' C ' HD12 ' A' ' 500' ' ' ILE . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 490' ' ' ARG . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 514' ' ' ILE . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 517' ' ' ILE . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 514' ' ' ILE . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' PHE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 447' ' ' ILE . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 444' ' ' LYS . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.69 ' HB3' HD12 ' A' ' 453' ' ' LEU . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 450' ' ' PHE . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.456 ' H ' HG12 ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.767 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 488' ' ' LEU . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.42 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.785 ' C ' HD12 ' A' ' 500' ' ' ILE . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.785 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.582 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 509' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 514' ' ' ILE . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 516' ' ' MET . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 511' ' ' LEU . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 463' ' ' ALA . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.529 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 500' ' ' ILE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 441' ' ' ALA . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.417 ' HB2' ' HD2' ' A' ' 438' ' ' PRO . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.408 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.633 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 453' ' ' LEU . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 450' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.77 HG23 HG13 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 476' ' ' VAL . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.668 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 446' ' ' VAL . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.77 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.667 ' HB2' HD22 ' A' ' 453' ' ' LEU . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.529 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.485 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.442 ' N ' HD22 ' A' ' 488' ' ' LEU . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.591 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.633 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 500' ' ' ILE . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.542 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' PRO . . . . . 0.438 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.423 ' HE3' HD11 ' A' ' 511' ' ' LEU . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.423 HD11 ' HE3' ' A' ' 507' ' ' LYS . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 517' ' ' ILE . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.426 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.468 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.584 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 455' ' ' ILE . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 450' ' ' PHE . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.756 HG23 HG13 ' A' ' 476' ' ' VAL . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.506 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.756 HG13 HG23 ' A' ' 455' ' ' ILE . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.448 ' HB2' HD22 ' A' ' 453' ' ' LEU . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 484' ' ' TYR . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.584 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.544 HD13 ' CB ' ' A' ' 495' ' ' MET . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 514' ' ' ILE . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 517' ' ' ILE . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.979 HD12 ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.522 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.634 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.546 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.85 ' HB3' HD12 ' A' ' 453' ' ' LEU . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.85 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.783 HG23 HG13 ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 476' ' ' VAL . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.477 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.783 HG13 HG23 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.486 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.688 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.63 ' C ' HD12 ' A' ' 500' ' ' ILE . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.688 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' PRO . . . . . 0.538 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.402 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 514' ' ' ILE . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' A' ' 517' ' ' ILE . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 514' ' ' ILE . 15.6 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 500' ' ' ILE . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 460' ' ' ILE . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.462 ' CB ' HD11 ' A' ' 455' ' ' ILE . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 483' ' ' ASP . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 476' ' ' VAL . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.509 HG23 HG11 ' A' ' 446' ' ' VAL . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.488 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.83 HG13 HG23 ' A' ' 455' ' ' ILE . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.685 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.595 ' CB ' HD13 ' A' ' 500' ' ' ILE . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.74 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 490' ' ' ARG . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 517' ' ' ILE . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 514' ' ' ILE . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.643 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 447' ' ' ILE . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 444' ' ' LYS . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.618 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.645 ' HB3' HD12 ' A' ' 453' ' ' LEU . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 450' ' ' PHE . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 476' ' ' VAL . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.609 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' LYS . . . . . 0.522 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 455' ' ' ILE . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.456 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' ALA . . . . . 0.42 ' HB3' HD21 ' A' ' 453' ' ' LEU . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 491' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 492' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.618 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 507' ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' ' 511' ' ' LEU . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.736 HD11 ' HE2' ' A' ' 507' ' ' LYS . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 517' ' ' ILE . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 514' ' ' ILE . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 450' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 500' ' ' ILE . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' PRO . . . . . 0.592 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' VAL . . . . . 0.461 HG11 HG23 ' A' ' 460' ' ' ILE . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' PHE . . . . . 0.529 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 483' ' ' ASP . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' ILE . . . . . 0.627 HG23 HG13 ' A' ' 476' ' ' VAL . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ILE . . . . . 0.461 HG23 HG11 ' A' ' 446' ' ' VAL . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' TYR . . . . . 0.606 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' TYR . . . . . 0.417 ' C ' HG23 ' A' ' 471' ' ' THR . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 464' ' ' TYR . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.627 HG13 HG23 ' A' ' 455' ' ' ILE . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' ASP . . . . . 0.724 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' TYR . . . . . 0.539 ' CE1' HD21 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 488' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' GLN . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 494' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' MET . . . . . 0.755 ' HB2' HD13 ' A' ' 500' ' ' ILE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 500' ' ' ILE . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' VAL . . . . . 0.466 HG22 HD21 ' A' ' 434' ' ' LEU . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' MET . . . . . 0.516 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 511' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 514' ' ' ILE . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 517' ' ' ILE . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 517' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 514' ' ' ILE . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 59.8 p -86.46 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 36.2 p -52.92 -44.61 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 45.95 -158.65 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.2 t -143.02 152.89 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.7 p -144.41 173.43 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -105.28 156.74 16.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -121.47 114.74 21.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 29.5 t -125.92 80.6 67.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.53 63.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 13.6 m -155.3 150.66 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 417' ' ' GLN . . . 89.11 -42.84 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' GLY . 0.1 OUTLIER 37.04 39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -132.41 152.89 51.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.44 164.17 21.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 57.2 p -126.56 146.68 50.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -127.5 179.88 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 93.0 p -123.08 129.14 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 423' ' ' ARG . 11.8 ttm105 -71.57 -59.04 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -132.66 143.98 51.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.74 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -131.7 159.07 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.79 149.5 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -174.4 141.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -73.22 -152.62 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.576 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 462' ' ' ILE . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.459 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.576 ' HE2' HD11 ' A' ' 434' ' ' LEU . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 450' ' ' PHE . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.806 HG23 HG13 ' A' ' 476' ' ' VAL . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.526 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 446' ' ' VAL . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.495 ' O ' HD21 ' A' ' 521' ' ' LEU . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 455' ' ' ILE . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.502 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.937 ' C ' HD12 ' A' ' 500' ' ' ILE . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.937 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.604 ' HE3' HD11 ' A' ' 511' ' ' LEU . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.604 HD11 ' HE3' ' A' ' 507' ' ' LYS . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.526 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.68 -40.74 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -56.21 -15.32 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -89.78 -26.38 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 464' ' ' TYR . 93.1 mt -94.11 -29.11 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -71.88 132.98 45.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 41.7 m -113.23 104.06 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.43 149.13 14.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.42 36.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.311 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 42.3 m -76.75 133.72 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.3 t -56.0 -50.34 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 55.6 m -142.28 178.61 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 44.1 p -148.4 161.77 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -119.89 142.11 15.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.0 t -142.58 176.09 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.7 p -144.5 169.38 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.59 95.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -117.88 126.04 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 55.0 p -119.25 142.03 31.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 121.64 8.35 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 32.8 p -170.38 143.77 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -178.93 87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -146.4 142.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.34 43.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.17 111.17 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.6 p -156.56 141.6 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -114.96 150.48 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 45.2 m -72.86 -56.88 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -51.3 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -63.3 150.32 89.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -75.86 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 48.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . 38.22 33.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 101.65 -165.85 18.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.606 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.606 ' HE2' HD11 ' A' ' 434' ' ' LEU . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 453' ' ' LEU . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 483' ' ' ASP . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.828 HG23 HG13 ' A' ' 476' ' ' VAL . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 456' ' ' VAL . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.828 HG13 HG23 ' A' ' 455' ' ' ILE . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.431 ' CE1' HG12 ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.663 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.424 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.909 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.909 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.417 HG22 ' CD2' ' A' ' 434' ' ' LEU . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 514' ' ' ILE . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -59.52 -51.12 71.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -54.72 -30.87 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -68.23 -21.17 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 54.5 mt -103.23 -33.17 9.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -97.87 37.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 91.1 p -42.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -69.56 -94.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.55 21.41 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 47.9 t -106.37 92.89 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 t -160.37 155.59 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 1.8 m -172.11 152.64 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 60.0 p -169.94 177.46 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 151.79 125.52 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 125.71 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 1.1 t -165.49 140.33 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.62 77.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -144.64 168.43 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -159.1 142.54 10.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.44 16.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.3 t -134.15 135.17 42.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 148.93 88.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -166.53 142.94 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -141.66 143.57 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -124.05 150.18 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 39.9 m -163.2 133.08 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.85 -175.79 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.3 p -118.86 49.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -79.83 77.21 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 71.3 m -141.08 144.2 34.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.754 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 426' ' ' HIS . 54.0 Cg_endo -69.79 165.38 31.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 425' ' ' PRO . 11.1 t-160 -36.1 -60.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -143.17 165.14 28.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -173.67 154.41 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -69.32 -167.69 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.551 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 447' ' ' ILE . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.465 HG11 HG23 ' A' ' 460' ' ' ILE . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 444' ' ' LYS . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.679 ' CB ' HD11 ' A' ' 455' ' ' ILE . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 452' ' ' LYS . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.807 HG23 HG13 ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.465 HG23 HG11 ' A' ' 446' ' ' VAL . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.65 ' O ' HD21 ' A' ' 521' ' ' LEU . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.477 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.47 ' CB ' HD13 ' A' ' 500' ' ' ILE . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.735 ' C ' HD12 ' A' ' 500' ' ' ILE . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.665 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.665 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 463' ' ' ALA . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -48.84 -50.27 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -53.39 -46.18 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -51.11 -39.33 55.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.65 HD21 ' O ' ' A' ' 464' ' ' TYR . 39.0 mt -82.33 -68.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -39.93 140.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.8 m -79.09 -51.2 9.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.24 146.02 10.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -43.35 2.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 40.2 m -59.13 99.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 m -118.09 145.62 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 50.4 p -121.2 143.3 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 151.6 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -155.36 -151.48 5.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 71.0 m -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.4 m -81.05 -60.82 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 165.53 -159.12 32.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -113.38 129.59 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 8.7 t -173.93 142.23 0.88 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 177.86 5.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 56.5 p -129.36 85.15 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 140.28 31.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.25 88.2 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -71.69 169.98 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -115.29 -55.9 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.3 t -168.94 175.02 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -88.47 111.35 21.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 t -41.58 133.76 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -80.04 -61.08 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.1 t -122.21 142.38 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' PRO . . . . . 0.521 ' O ' ' CG ' ' A' ' 426' ' ' HIS . 53.4 Cg_endo -69.81 89.3 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 425' ' ' PRO . 17.0 m80 -171.0 139.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -102.52 157.04 17.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -119.43 -52.78 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 156.69 -163.25 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.805 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.68 HG11 HG23 ' A' ' 460' ' ' ILE . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.585 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 450' ' ' PHE . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.836 HG23 HG13 ' A' ' 476' ' ' VAL . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.68 HG23 HG11 ' A' ' 446' ' ' VAL . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 446' ' ' VAL . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 517' ' ' ILE . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.836 HG13 HG23 ' A' ' 455' ' ' ILE . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.674 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.431 ' HB2' HD22 ' A' ' 453' ' ' LEU . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.674 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.585 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.737 ' C ' HD12 ' A' ' 500' ' ' ILE . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 509' ' ' GLY . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 505' ' ' ILE . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.763 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.597 HG21 ' HB1' ' A' ' 463' ' ' ALA . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -52.43 -52.09 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -45.86 -49.89 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -44.81 -42.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.38 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.76 148.51 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 524' ' ' GLY . 20.8 p -117.63 132.76 56.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 523' ' ' SER . . . 33.95 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 523' ' ' SER . 53.9 Cg_endo -69.69 151.19 69.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 24.5 m -98.39 -50.06 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 40.5 t -135.15 134.75 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 73.5 m -147.54 136.66 22.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 77.6 p -89.46 154.13 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 85.47 93.95 0.79 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 51.6 p -109.49 134.8 51.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.7 m -171.22 172.64 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.24 109.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -45.99 151.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.5 m -132.65 85.77 46.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.69 48.83 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.5 m -46.45 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 123.86 90.4 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -77.74 143.29 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -112.11 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 38.9 38.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.9 p -92.17 83.94 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -82.07 91.84 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.2 t -116.31 150.88 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -107.83 128.59 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 63.8 p -121.73 80.74 40.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.636 0.732 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.88 37.95 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -43.72 161.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.05 172.07 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -129.18 121.05 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.06 -134.54 7.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 450' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 HG23 ' A' ' 460' ' ' ILE . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.48 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.681 ' CB ' HD11 ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 483' ' ' ASP . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.81 HG23 HG13 ' A' ' 476' ' ' VAL . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.476 HG23 HG11 ' A' ' 446' ' ' VAL . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.43 HD11 ' CG2' ' A' ' 446' ' ' VAL . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.652 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.81 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.453 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ASN . . . . . 0.57 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB2' HD22 ' A' ' 453' ' ' LEU . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 502' ' ' VAL . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.65 ' HB2' HD13 ' A' ' 500' ' ' ILE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.775 ' C ' HD12 ' A' ' 500' ' ' ILE . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' A' ' 488' ' ' LEU . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 514' ' ' ILE . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 463' ' ' ALA . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -49.61 -56.8 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -41.23 -43.28 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -53.11 -42.42 65.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 522' ' ' GLN . 30.3 mt -82.42 -57.83 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 521' ' ' LEU . 63.7 mm-40 -36.5 -52.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.2 m 60.7 42.23 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.39 176.06 47.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.9 3.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.4 m -97.95 42.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.0 p 38.12 42.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.3 p -132.02 149.89 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 82.9 p -147.97 166.75 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -176.2 88.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 14.1 t -105.65 158.34 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.938 0.399 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 21.5 t -54.74 135.26 47.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.13 -73.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -43.15 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 95.7 p -169.63 144.47 2.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.13 43.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.1 t -61.07 -45.13 96.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 126.44 95.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -147.82 122.42 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -79.03 142.37 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 97.0 p -98.65 114.66 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 5.0 t -146.35 142.72 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 423' ' ' ARG . 0.1 OUTLIER -77.83 -59.86 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 70.9 m -131.52 144.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -84.65 77.77 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.32 131.35 2.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -127.71 123.73 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 56.31 163.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.499 HD22 HG21 ' A' ' 500' ' ' ILE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.642 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 447' ' ' ILE . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 444' ' ' LYS . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.749 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.841 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 450' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 450' ' ' PHE . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 455' ' ' ILE . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 484' ' ' TYR . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 453' ' ' LEU . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 488' ' ' LEU . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.749 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.827 ' C ' HD12 ' A' ' 500' ' ' ILE . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.827 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.764 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.764 HD11 ' HE2' ' A' ' 507' ' ' LYS . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 463' ' ' ALA . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -57.81 -64.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.05 -54.98 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 520' ' ' ARG . 0.8 OUTLIER -38.65 -40.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.47 -57.42 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -44.02 -43.3 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.4 p -90.4 137.73 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -77.83 167.4 53.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -24.66 29.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 41.1 p -122.05 129.88 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -117.31 170.46 8.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 32.2 m -129.16 167.33 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 88.6 p -135.42 169.36 17.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 79.79 161.0 22.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 5.3 t -69.37 83.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 3.3 m -60.73 153.1 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -60.59 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 158.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 6.1 m -120.46 87.63 41.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.55 14.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.2 t -58.32 -67.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 152.28 178.53 27.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -83.09 165.73 19.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -167.79 125.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.47 145.98 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.2 t -156.08 170.14 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -87.03 154.68 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 37.0 m -150.49 172.12 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -107.57 176.94 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.2 t -125.61 83.29 62.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.53 5.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 426' ' ' HIS . 1.4 p80 -61.33 97.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.72 154.54 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' ALA . . . . . 0.651 ' H ' HG22 ' A' ' 506' ' ' THR . . . -157.43 126.28 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 57.18 -174.5 1.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.664 HD11 ' CE2' ' A' ' 450' ' ' PHE . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.516 HG11 HG23 ' A' ' 460' ' ' ILE . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 434' ' ' LEU . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 483' ' ' ASP . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.811 HG23 HG13 ' A' ' 476' ' ' VAL . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.516 HG23 HG11 ' A' ' 446' ' ' VAL . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.54 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.811 HG13 HG23 ' A' ' 455' ' ' ILE . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 455' ' ' ILE . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ASN . . . . . 0.641 ' H ' ' ND2' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.458 ' HB2' HD22 ' A' ' 453' ' ' LEU . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.418 ' CE1' ' H ' ' A' ' 502' ' ' VAL . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.738 ' HB2' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.831 ' C ' HD12 ' A' ' 500' ' ' ILE . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.418 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 428' ' ' ALA . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.418 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 517' ' ' ILE . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.691 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 514' ' ' ILE . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.691 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 -58.45 -61.46 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.68 -37.18 49.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 522' ' ' GLN . 86.3 mt -76.29 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 521' ' ' LEU . 38.3 mt-30 -37.27 -49.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.7 m -58.54 113.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 164.42 -91.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.21 46.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.1 t -130.57 -53.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 173.79 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.467 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 19.8 m -146.51 149.49 33.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 22.1 p -155.45 140.1 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 164.59 166.23 23.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 15.2 m -124.2 114.6 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 80.5 p -89.52 102.47 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.1 122.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -130.53 -47.93 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 60.4 p -122.05 131.47 24.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.3 14.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t -129.54 90.62 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 173.13 -51.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -143.72 143.83 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -154.91 127.68 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 50.86 41.99 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 62.1 m -126.78 119.08 26.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -136.96 163.94 29.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 25.8 t -155.59 130.34 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 423' ' ' ARG . 25.4 mtm105 -135.46 167.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.0 p -150.09 143.82 16.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.689 0.757 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.96 36.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -50.8 128.6 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.0 142.42 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -171.24 169.4 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -67.87 -132.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 500' ' ' ILE . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.779 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 444' ' ' LYS . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.693 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.964 ' HB3' HD12 ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 453' ' ' LEU . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.892 HG23 HG13 ' A' ' 476' ' ' VAL . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.557 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.892 HG13 HG23 ' A' ' 455' ' ' ILE . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.552 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 12.1 t-160 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.693 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.6 ' C ' HD12 ' A' ' 500' ' ' ILE . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 490' ' ' ARG . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.594 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.594 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.897 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 514' ' ' ILE . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 519' ' ' LYS . 36.5 mtp85 -68.32 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 518' ' ' ARG . 43.7 mtpt -37.24 -50.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -52.72 -45.11 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 522' ' ' GLN . 76.1 mt -71.59 -53.56 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 521' ' ' LEU . 67.1 mm-40 -37.3 124.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 21.7 t -69.2 -53.6 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 175.17 146.1 5.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.1 m 43.12 44.52 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 -51.64 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 69.6 m -108.88 155.72 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 6.5 t -123.28 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 177.94 82.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.8 t -75.78 -53.9 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 46.7 m -78.03 93.5 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -44.29 139.11 4.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 412' ' ' LYS . 4.1 mptp? -62.1 114.83 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 18.9 m -81.96 137.31 46.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.5 t -148.78 155.8 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 121.3 81.0 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -137.37 109.22 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 140.03 58.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -94.78 33.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.2 m -96.06 156.63 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.31 -38.26 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.3 t -154.59 122.88 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.54 86.46 3.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.5 p -122.71 89.53 50.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.2 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -59.39 -68.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -159.73 133.94 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -170.34 165.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.66 -149.65 25.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' PHE . . . . . 0.788 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.55 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.499 ' CB ' HD11 ' A' ' 455' ' ' ILE . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 453' ' ' LEU . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 483' ' ' ASP . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 476' ' ' VAL . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.608 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.454 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 455' ' ' ILE . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.51 ' HB2' HD22 ' A' ' 453' ' ' LEU . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.556 ' CB ' HD13 ' A' ' 500' ' ' ILE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.741 ' C ' HD12 ' A' ' 500' ' ' ILE . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 514' ' ' ILE . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.608 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.595 HD13 ' HB2' ' A' ' 463' ' ' ALA . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 519' ' ' LYS . 6.3 mtp-105 -55.17 -59.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mmmt -37.94 -55.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -41.9 -50.99 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -56.1 111.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 81.1 p -117.26 92.74 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 99.91 88.99 2.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.63 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.8 t -65.55 145.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.0 t -129.52 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 74.9 p -167.63 110.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 20.6 t -94.66 152.54 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -94.4 168.3 28.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -166.05 118.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 94.7 p -167.95 136.7 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -79.54 129.62 9.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 122.63 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 59.7 m -121.32 130.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 38.4 t -129.83 -44.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 80.18 135.5 1.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -147.54 137.14 22.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.76 123.37 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 170.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 50.7 p -100.33 155.18 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 421' ' ' ARG . 18.4 mtm105 -92.74 -42.08 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.0 t 51.12 53.47 12.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -113.06 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.499 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 1.0 OUTLIER -55.75 -60.16 9.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.697 0.76 . . . . 0.0 110.916 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 425' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.6 Cg_endo -69.85 135.4 30.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -116.91 -44.28 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.21 130.26 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -166.41 118.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.17 177.1 2.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 476' ' ' VAL . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 500' ' ' ILE . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.452 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.615 ' CB ' HD11 ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 483' ' ' ASP . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 476' ' ' VAL . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 456' ' ' VAL . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.443 HG23 HG11 ' A' ' 446' ' ' VAL . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.613 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 439' ' ' PHE . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.401 ' HE2' HG11 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.71 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.489 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.844 ' C ' HD12 ' A' ' 500' ' ' ILE . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 434' ' ' LEU . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 517' ' ' ILE . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 514' ' ' ILE . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -60.82 -57.63 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -37.66 -54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.68 -52.31 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.97 -44.99 94.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -50.07 106.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 33.7 m -161.21 149.61 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -169.25 -159.24 14.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -35.26 12.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 84.6 p -166.26 123.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.1 t -131.08 109.33 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.5 m -59.7 118.81 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 139.07 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -141.34 125.64 2.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 2.6 t -155.41 128.71 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 32.0 p -157.21 113.7 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.8 93.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -94.16 99.5 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 40.2 p -52.51 143.61 27.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m -102.6 80.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -50.52 121.5 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.83 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -132.7 121.87 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -160.57 157.12 26.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.1 p -139.9 124.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -111.72 138.36 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 38.5 p -127.64 164.03 22.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -143.52 152.94 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 87.0 p -155.99 143.71 14.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.63 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -58.43 161.26 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.37 121.03 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -122.35 115.56 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 38.77 -159.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.462 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 500' ' ' ILE . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.583 HG22 ' HE2' ' A' ' 451' ' ' LYS . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 434' ' ' LEU . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.583 ' HE2' HG22 ' A' ' 447' ' ' ILE . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 450' ' ' PHE . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.661 ' CG2' HG13 ' A' ' 476' ' ' VAL . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.661 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 455' ' ' ILE . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.571 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.5 ' HB2' HD13 ' A' ' 500' ' ' ILE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.514 ' C ' HD12 ' A' ' 500' ' ' ILE . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.586 HG21 HD22 ' A' ' 434' ' ' LEU . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 514' ' ' ILE . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 517' ' ' ILE . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 514' ' ' ILE . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -67.17 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 518' ' ' ARG . 2.1 mmmp? -35.72 -55.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -42.93 -50.23 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.58 -52.29 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -45.61 130.28 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 39.3 m -122.26 101.04 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -173.53 -172.58 39.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.16 13.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 83.4 p -103.12 130.73 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.2 t -90.77 92.71 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 30.7 t -110.32 111.07 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 8.5 t -62.11 -55.18 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 118.29 -148.29 18.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.6 t -64.9 144.29 57.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 29.5 t -120.03 115.05 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 113.09 78.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -151.56 144.19 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 63.8 m -109.36 140.24 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.71 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 52.1 m -130.98 -50.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 102.72 72.92 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.04 164.98 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -106.61 130.93 54.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -134.14 146.4 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 26.8 p -107.05 159.47 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -175.06 157.06 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 4.8 t 65.2 36.48 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -23.86 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.3 m -173.67 133.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.71 48.52 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -120.12 166.59 13.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.67 107.46 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -172.03 161.78 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -65.84 -139.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 476' ' ' VAL . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 444' ' ' LYS . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.609 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.861 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 450' ' ' PHE . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 471' ' ' THR . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 504' ' ' PRO . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.609 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 500' ' ' ILE . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 509' ' ' GLY . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.638 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' GLY . . . . . 0.422 ' C ' HD11 ' A' ' 505' ' ' ILE . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' MET . . . . . 0.579 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.638 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.509 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 463' ' ' ALA . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 -58.42 -53.86 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -41.43 -50.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -50.72 -42.63 57.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.84 -60.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -44.65 125.79 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 54.3 p 39.33 36.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.46 -158.06 34.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -12.72 33.54 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 91.9 p -93.04 134.86 34.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.7 t -79.48 120.5 23.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 68.0 m -124.27 160.32 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 65.1 p -161.0 179.98 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -78.46 54.29 4.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.6 t -91.85 160.15 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.0 t -132.86 154.38 50.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -42.71 152.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -131.55 154.61 48.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 38.2 m -105.93 143.95 27.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.91 36.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 35.4 t -137.15 148.94 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -134.57 -159.48 8.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -77.42 119.92 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -87.95 126.78 35.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -106.57 164.81 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 45.7 t -44.67 115.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -104.11 99.79 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.0 t -59.45 129.9 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -154.64 170.36 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 147.67 33.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.703 0.763 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -5.85 17.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.387 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -158.46 116.8 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -86.83 136.75 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' ALA . . . . . 0.718 ' HB3' ' HB ' ' A' ' 506' ' ' THR . . . -107.8 92.05 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.81 175.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.496 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.525 HD11 ' HE2' ' A' ' 450' ' ' PHE . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 500' ' ' ILE . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.503 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 447' ' ' ILE . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 444' ' ' LYS . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.911 ' HB3' HD12 ' A' ' 453' ' ' LEU . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.621 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 450' ' ' PHE . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 476' ' ' VAL . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.569 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 471' ' ' THR . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.425 ' O ' HG21 ' A' ' 502' ' ' VAL . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.729 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.583 ' C ' HD12 ' A' ' 500' ' ' ILE . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 490' ' ' ARG . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' THR . . . . . 0.718 ' HB ' ' HB3' ' A' ' 428' ' ' ALA . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 514' ' ' ILE . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 517' ' ' ILE . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 514' ' ' ILE . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -54.55 -55.68 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -50.26 -44.67 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -51.43 -22.75 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.56 -43.34 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.42 34.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.3 t -81.16 98.13 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 177.74 146.33 6.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.09 10.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 27.7 t -129.45 -47.88 1.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.7 m -84.22 145.07 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 92.3 p -77.75 129.85 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 19.3 m 50.94 41.56 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -105.92 128.73 9.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.0 p -130.84 170.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -149.87 162.96 39.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.5 73.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -59.84 165.35 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 82.6 p -159.8 139.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.78 3.82 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 82.4 p -135.86 138.21 42.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 146.05 104.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.22 42.52 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -89.02 132.62 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 420' ' ' SER . 83.9 mtm180 -142.84 123.43 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 419' ' ' ARG . 57.7 m -35.27 -54.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 421' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 421' ' ' ARG . 17.7 ttp-105 -93.18 101.6 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.5 t -103.58 -48.56 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -160.29 123.41 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.4 m -82.97 144.78 48.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.7 65.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -81.07 -48.88 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -159.52 116.23 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -165.21 143.3 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . -69.89 -124.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' PHE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 447' ' ' ILE . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 444' ' ' LYS . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.69 ' HB3' HD12 ' A' ' 453' ' ' LEU . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 450' ' ' PHE . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.456 ' H ' HG12 ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.767 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 488' ' ' LEU . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.42 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.785 ' C ' HD12 ' A' ' 500' ' ' ILE . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.785 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.582 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 509' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 514' ' ' ILE . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 516' ' ' MET . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 511' ' ' LEU . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 463' ' ' ALA . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 521' ' ' LEU . 23.1 mtp180 -57.91 -60.4 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -37.34 -42.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.91 -41.65 97.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 518' ' ' ARG . 42.0 mt -71.28 -62.52 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -46.28 144.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 37.7 m -128.01 87.71 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -175.66 90.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.96 67.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 12.8 t -112.64 -48.73 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -67.87 97.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 60.6 m 50.04 42.17 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 17.4 m -85.73 171.75 11.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -109.82 146.08 17.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.2 m -95.42 127.85 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.1 t -92.69 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 104.25 -122.05 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -159.98 141.14 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 3.6 m -151.34 143.72 16.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.697 0.761 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.33 23.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -149.4 151.12 33.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 125.31 53.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -111.3 133.08 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -90.67 119.03 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -148.07 132.8 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 59.8 m -118.27 127.81 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -119.81 144.46 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 49.1 m -117.16 84.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.82 95.27 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 6.2 t -160.34 125.53 2.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.26 18.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -48.41 153.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -84.44 132.12 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -134.51 142.21 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -71.12 -162.78 4.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.529 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 500' ' ' ILE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 441' ' ' ALA . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.417 ' HB2' ' HD2' ' A' ' 438' ' ' PRO . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.408 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.633 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 453' ' ' LEU . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 450' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.77 HG23 HG13 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 476' ' ' VAL . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.668 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 446' ' ' VAL . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.77 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.667 ' HB2' HD22 ' A' ' 453' ' ' LEU . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.529 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.485 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.442 ' N ' HD22 ' A' ' 488' ' ' LEU . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.591 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.633 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 500' ' ' ILE . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.542 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' PRO . . . . . 0.438 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.423 ' HE3' HD11 ' A' ' 511' ' ' LEU . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.423 HD11 ' HE3' ' A' ' 507' ' ' LYS . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 517' ' ' ILE . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -80.94 -32.65 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -69.84 -45.18 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -57.27 -38.1 73.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.36 -49.06 75.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.99 131.76 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.9 t -135.51 130.36 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 129.33 148.03 6.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.78 19.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 527' ' ' SER . 72.1 m -121.93 132.97 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 526' ' ' SER . 32.8 t -36.79 110.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 25.8 p -129.13 159.32 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.9 m -101.08 120.93 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 150.78 99.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 60.1 m -109.89 175.18 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.6 m -86.02 155.76 20.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.73 44.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -162.19 123.15 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 74.5 p -115.96 142.15 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 415' ' ' SER . 53.8 Cg_endo -69.76 0.23 5.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 414' ' ' PRO . 1.1 t -34.67 113.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 78.47 77.48 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -120.67 39.33 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -130.22 128.71 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.52 133.15 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 6.0 m -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 421' ' ' ARG . 3.3 tmt_? -135.14 116.0 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 96.7 p -123.22 -43.51 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -50.77 125.78 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 49.6 m -141.2 139.68 19.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.77 3.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -71.08 -57.75 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -161.97 140.16 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -135.36 176.22 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -91.23 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.426 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.468 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.584 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 455' ' ' ILE . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 450' ' ' PHE . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.756 HG23 HG13 ' A' ' 476' ' ' VAL . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.506 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.756 HG13 HG23 ' A' ' 455' ' ' ILE . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.448 ' HB2' HD22 ' A' ' 453' ' ' LEU . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 484' ' ' TYR . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.584 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.544 HD13 ' CB ' ' A' ' 495' ' ' MET . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 514' ' ' ILE . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 517' ' ' ILE . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.979 HD12 ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 519' ' ' LYS . 60.0 mtp180 -60.33 -58.47 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 518' ' ' ARG . 30.4 mtpt -37.6 -57.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 520' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 520' ' ' ARG . 14.3 mtp-105 -48.79 -43.89 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.15 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -41.14 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.6 m -80.03 100.78 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -122.55 145.9 16.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.56 51.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.2 t -70.11 158.68 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.0 t -140.76 121.41 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 90.4 p -147.64 147.95 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 2.2 t -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -40.91 101.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 48.8 m -104.31 116.57 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.4 m -89.42 137.63 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.54 -179.19 41.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.24 126.25 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.778 0.323 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 26.6 t -157.5 138.94 9.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.66 0.743 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 176.49 6.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.394 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -133.79 154.93 50.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 162.63 162.93 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -93.13 150.47 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -123.86 151.62 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -124.29 132.21 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 88.7 p -78.22 89.52 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -49.67 -57.25 7.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.6 p -55.41 129.1 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.83 -60.06 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 425' ' ' PRO . 2.0 t 74.36 54.92 0.26 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 424' ' ' SER . 54.0 Cg_endo -69.79 -37.19 9.45 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.89 143.47 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.0 145.99 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -110.44 -52.28 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -154.94 -146.33 4.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.522 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.634 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.546 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.85 ' HB3' HD12 ' A' ' 453' ' ' LEU . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.85 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.783 HG23 HG13 ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 476' ' ' VAL . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.477 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.783 HG13 HG23 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.486 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.688 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.63 ' C ' HD12 ' A' ' 500' ' ' ILE . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.688 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' PRO . . . . . 0.538 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.402 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 514' ' ' ILE . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' A' ' 517' ' ' ILE . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 514' ' ' ILE . 15.6 mtt-85 -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -65.56 -56.3 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -53.46 -39.42 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.42 -46.83 84.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -43.68 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 32.7 m -109.65 -47.05 3.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 173.84 63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.4 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 54.0 m -153.24 136.17 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -138.64 131.37 29.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 6.9 t -146.28 124.0 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 81.8 p -102.04 140.62 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -157.01 146.85 14.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.5 t -113.98 -49.77 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 14.0 t -61.05 117.08 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 166.99 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -120.01 134.64 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 24.8 p -52.29 143.15 26.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.51 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 84.5 p 47.63 52.79 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -131.58 92.83 0.29 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.73 149.82 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -103.39 173.35 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -103.31 136.14 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.3 p -120.02 117.78 28.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -139.26 158.29 44.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 m -135.53 172.22 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 24.6 ttp85 -84.58 41.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 55.9 p -171.29 144.07 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 115.99 4.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -109.19 -61.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 51.38 52.0 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 507' ' ' LYS . . . -142.84 166.97 23.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.8 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 500' ' ' ILE . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 460' ' ' ILE . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.462 ' CB ' HD11 ' A' ' 455' ' ' ILE . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 483' ' ' ASP . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 476' ' ' VAL . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.509 HG23 HG11 ' A' ' 446' ' ' VAL . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.488 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.83 HG13 HG23 ' A' ' 455' ' ' ILE . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.685 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.595 ' CB ' HD13 ' A' ' 500' ' ' ILE . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.74 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 490' ' ' ARG . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 517' ' ' ILE . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 514' ' ' ILE . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.71 -49.91 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -44.15 -59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -40.26 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.0 -54.54 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -49.18 152.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.09 146.52 14.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.14 17.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 45.6 t -110.78 111.23 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.3 t -122.24 -53.6 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 8.6 t -169.92 149.61 3.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 58.9 p -133.51 174.6 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -160.12 138.66 5.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.7 t -110.66 175.17 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 20.7 m -162.03 149.5 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.95 63.82 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -91.27 37.45 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 57.5 p -115.37 81.36 8.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.829 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.49 5.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 64.0 p -133.7 113.07 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 119.86 67.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -83.77 40.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 41.93 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 153.38 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.2 m -70.86 119.31 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -120.12 147.07 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 83.9 p -171.09 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -113.06 -53.87 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 0.8 OUTLIER -73.08 -61.01 1.62 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.857 -179.795 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 425' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.8 Cg_endo -69.71 103.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -81.72 -49.85 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -173.78 124.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -139.34 113.33 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 45.5 -169.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.643 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 447' ' ' ILE . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 444' ' ' LYS . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.618 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.645 ' HB3' HD12 ' A' ' 453' ' ' LEU . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 450' ' ' PHE . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 476' ' ' VAL . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.609 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' LYS . . . . . 0.522 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 455' ' ' ILE . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.456 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' ALA . . . . . 0.42 ' HB3' HD21 ' A' ' 453' ' ' LEU . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 491' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 492' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.618 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 507' ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' ' 511' ' ' LEU . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.736 HD11 ' HE2' ' A' ' 507' ' ' LYS . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 517' ' ' ILE . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 514' ' ' ILE . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -64.09 -41.94 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -48.0 -31.21 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -73.03 -37.18 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 522' ' ' GLN . 32.3 mt -80.75 -58.45 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 523' ' ' SER . 1.0 OUTLIER -37.13 -45.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 523' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 522' ' ' GLN . 91.2 p -49.27 145.17 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 111.22 152.05 12.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 5.1 m 56.67 50.02 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.4 m 53.28 43.66 31.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 3.4 m -110.95 -43.72 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 74.2 m -84.76 133.84 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -154.37 -157.93 8.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 96.3 p -123.58 127.38 48.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 10.3 t -117.09 143.2 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 84.68 118.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -113.7 164.88 13.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 414' ' ' PRO . 68.3 p 44.26 54.16 11.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 413' ' ' SER . 53.9 Cg_endo -69.77 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.1 t -165.56 170.4 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 167.08 177.91 39.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -117.27 42.24 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.54 -47.26 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 51.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 13.3 p -77.49 -50.04 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -144.97 163.94 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 15.0 t -76.63 -59.36 2.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -159.01 163.56 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 1.6 t -101.4 127.58 31.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.53 36.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.79 140.85 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -121.75 10.85 10.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -76.75 59.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 52.53 -165.45 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 450' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 500' ' ' ILE . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' PRO . . . . . 0.592 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' VAL . . . . . 0.461 HG11 HG23 ' A' ' 460' ' ' ILE . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' PHE . . . . . 0.529 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 483' ' ' ASP . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' ILE . . . . . 0.627 HG23 HG13 ' A' ' 476' ' ' VAL . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ILE . . . . . 0.461 HG23 HG11 ' A' ' 446' ' ' VAL . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' TYR . . . . . 0.606 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' TYR . . . . . 0.417 ' C ' HG23 ' A' ' 471' ' ' THR . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 464' ' ' TYR . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.627 HG13 HG23 ' A' ' 455' ' ' ILE . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' ASP . . . . . 0.724 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' TYR . . . . . 0.539 ' CE1' HD21 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLN . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 494' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' MET . . . . . 0.755 ' HB2' HD13 ' A' ' 500' ' ' ILE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 500' ' ' ILE . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' VAL . . . . . 0.466 HG22 HD21 ' A' ' 434' ' ' LEU . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' MET . . . . . 0.516 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 514' ' ' ILE . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 517' ' ' ILE . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 517' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 514' ' ' ILE . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -70.05 -57.67 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -45.71 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -50.25 -48.67 54.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.91 -46.09 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -60.62 122.29 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 83.9 p -104.67 134.5 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 178.84 173.16 43.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 526' ' ' SER . 54.4 Cg_endo -69.66 2.68 3.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 525' ' ' PRO . 3.3 m -34.43 -52.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.2 p -90.64 105.22 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.96 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.576 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 462' ' ' ILE . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.459 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.576 ' HE2' HD11 ' A' ' 434' ' ' LEU . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 450' ' ' PHE . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.806 HG23 HG13 ' A' ' 476' ' ' VAL . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.526 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 446' ' ' VAL . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 455' ' ' ILE . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.502 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.937 ' C ' HD12 ' A' ' 500' ' ' ILE . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.937 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.604 ' HE3' HD11 ' A' ' 511' ' ' LEU . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.604 HD11 ' HE3' ' A' ' 507' ' ' LYS . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.526 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.606 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.606 ' HE2' HD11 ' A' ' 434' ' ' LEU . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 453' ' ' LEU . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 483' ' ' ASP . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.828 HG23 HG13 ' A' ' 476' ' ' VAL . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 456' ' ' VAL . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.828 HG13 HG23 ' A' ' 455' ' ' ILE . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.431 ' CE1' HG12 ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.663 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.424 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 497' ' ' ASN . 8.3 t30 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.909 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.909 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 449' ' ' PHE . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 514' ' ' ILE . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.551 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 447' ' ' ILE . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.465 HG11 HG23 ' A' ' 460' ' ' ILE . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 444' ' ' LYS . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.679 ' CB ' HD11 ' A' ' 455' ' ' ILE . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 452' ' ' LYS . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.807 HG23 HG13 ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.465 HG23 HG11 ' A' ' 446' ' ' VAL . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.477 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.47 ' CB ' HD13 ' A' ' 500' ' ' ILE . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.735 ' C ' HD12 ' A' ' 500' ' ' ILE . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.665 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.665 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 463' ' ' ALA . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.805 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.68 HG11 HG23 ' A' ' 460' ' ' ILE . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.585 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 450' ' ' PHE . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.836 HG23 HG13 ' A' ' 476' ' ' VAL . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.68 HG23 HG11 ' A' ' 446' ' ' VAL . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 446' ' ' VAL . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 517' ' ' ILE . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.836 HG13 HG23 ' A' ' 455' ' ' ILE . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.674 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.431 ' HB2' HD22 ' A' ' 453' ' ' LEU . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.674 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.585 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.737 ' C ' HD12 ' A' ' 500' ' ' ILE . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 509' ' ' GLY . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 505' ' ' ILE . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.763 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.597 HG21 ' HB1' ' A' ' 463' ' ' ALA . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 450' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 HG23 ' A' ' 460' ' ' ILE . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.48 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.681 ' CB ' HD11 ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 483' ' ' ASP . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.81 HG23 HG13 ' A' ' 476' ' ' VAL . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.476 HG23 HG11 ' A' ' 446' ' ' VAL . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.43 HD11 ' CG2' ' A' ' 446' ' ' VAL . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.652 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.81 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.453 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . 0.57 ' ND2' ' H ' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB2' HD22 ' A' ' 453' ' ' LEU . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 502' ' ' VAL . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.65 ' HB2' HD13 ' A' ' 500' ' ' ILE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.775 ' C ' HD12 ' A' ' 500' ' ' ILE . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' A' ' 488' ' ' LEU . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 514' ' ' ILE . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 463' ' ' ALA . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.499 HD22 HG21 ' A' ' 500' ' ' ILE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.642 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 447' ' ' ILE . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 444' ' ' LYS . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.749 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.841 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 450' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 450' ' ' PHE . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 455' ' ' ILE . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 484' ' ' TYR . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 453' ' ' LEU . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 488' ' ' LEU . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.749 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.827 ' C ' HD12 ' A' ' 500' ' ' ILE . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.827 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.764 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.764 HD11 ' HE2' ' A' ' 507' ' ' LYS . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 463' ' ' ALA . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.664 HD11 ' CE2' ' A' ' 450' ' ' PHE . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.516 HG11 HG23 ' A' ' 460' ' ' ILE . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 434' ' ' LEU . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 483' ' ' ASP . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.811 HG23 HG13 ' A' ' 476' ' ' VAL . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.516 HG23 HG11 ' A' ' 446' ' ' VAL . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.54 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.811 HG13 HG23 ' A' ' 455' ' ' ILE . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 455' ' ' ILE . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.458 ' HB2' HD22 ' A' ' 453' ' ' LEU . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.418 ' CE1' ' H ' ' A' ' 502' ' ' VAL . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.738 ' HB2' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.831 ' C ' HD12 ' A' ' 500' ' ' ILE . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.418 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.418 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 517' ' ' ILE . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.691 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 514' ' ' ILE . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.691 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 500' ' ' ILE . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.779 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 444' ' ' LYS . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.693 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.964 ' HB3' HD12 ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 453' ' ' LEU . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.892 HG23 HG13 ' A' ' 476' ' ' VAL . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.557 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.892 HG13 HG23 ' A' ' 455' ' ' ILE . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.552 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.693 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.6 ' C ' HD12 ' A' ' 500' ' ' ILE . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 490' ' ' ARG . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.594 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.594 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.897 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 514' ' ' ILE . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.5 mtp85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . 0.788 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.55 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.499 ' CB ' HD11 ' A' ' 455' ' ' ILE . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 453' ' ' LEU . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 483' ' ' ASP . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 476' ' ' VAL . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.608 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.454 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 455' ' ' ILE . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.51 ' HB2' HD22 ' A' ' 453' ' ' LEU . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.556 ' CB ' HD13 ' A' ' 500' ' ' ILE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.741 ' C ' HD12 ' A' ' 500' ' ' ILE . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 514' ' ' ILE . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.608 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.595 HD13 ' HB2' ' A' ' 463' ' ' ALA . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 476' ' ' VAL . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 500' ' ' ILE . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.452 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.615 ' CB ' HD11 ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 483' ' ' ASP . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 476' ' ' VAL . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 456' ' ' VAL . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.443 HG23 HG11 ' A' ' 446' ' ' VAL . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.613 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 439' ' ' PHE . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.401 ' HE2' HG11 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.71 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.489 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.844 ' C ' HD12 ' A' ' 500' ' ' ILE . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 434' ' ' LEU . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 517' ' ' ILE . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 514' ' ' ILE . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.462 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 500' ' ' ILE . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.583 HG22 ' HE2' ' A' ' 451' ' ' LYS . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 434' ' ' LEU . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.583 ' HE2' HG22 ' A' ' 447' ' ' ILE . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 450' ' ' PHE . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.661 ' CG2' HG13 ' A' ' 476' ' ' VAL . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.661 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 455' ' ' ILE . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.571 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.5 ' HB2' HD13 ' A' ' 500' ' ' ILE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.514 ' C ' HD12 ' A' ' 500' ' ' ILE . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.586 HG21 HD22 ' A' ' 434' ' ' LEU . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 514' ' ' ILE . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 517' ' ' ILE . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 514' ' ' ILE . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 52.1 mtp180 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 476' ' ' VAL . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 444' ' ' LYS . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.609 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.861 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 450' ' ' PHE . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 471' ' ' THR . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 504' ' ' PRO . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.609 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 500' ' ' ILE . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 509' ' ' GLY . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.638 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . 0.422 ' C ' HD11 ' A' ' 505' ' ' ILE . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . 0.579 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.638 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.509 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 463' ' ' ALA . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.496 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.525 HD11 ' HE2' ' A' ' 450' ' ' PHE . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 500' ' ' ILE . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.503 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 447' ' ' ILE . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 444' ' ' LYS . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.911 ' HB3' HD12 ' A' ' 453' ' ' LEU . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.621 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 450' ' ' PHE . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 476' ' ' VAL . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.569 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 471' ' ' THR . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.425 ' O ' HG21 ' A' ' 502' ' ' VAL . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.729 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.583 ' C ' HD12 ' A' ' 500' ' ' ILE . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 490' ' ' ARG . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 514' ' ' ILE . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 517' ' ' ILE . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 514' ' ' ILE . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 447' ' ' ILE . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 444' ' ' LYS . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.69 ' HB3' HD12 ' A' ' 453' ' ' LEU . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 450' ' ' PHE . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.456 ' H ' HG12 ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.767 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 488' ' ' LEU . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.42 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.785 ' C ' HD12 ' A' ' 500' ' ' ILE . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.785 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.582 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 514' ' ' ILE . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 516' ' ' MET . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 511' ' ' LEU . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 463' ' ' ALA . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.529 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 500' ' ' ILE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 441' ' ' ALA . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.417 ' HB2' ' HD2' ' A' ' 438' ' ' PRO . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.408 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.633 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 453' ' ' LEU . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 450' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.77 HG23 HG13 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 476' ' ' VAL . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.668 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 446' ' ' VAL . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.77 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.667 ' HB2' HD22 ' A' ' 453' ' ' LEU . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.529 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.485 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 488' ' ' LEU . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.591 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.633 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 500' ' ' ILE . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.542 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . 0.438 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.423 ' HE3' HD11 ' A' ' 511' ' ' LEU . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.423 HD11 ' HE3' ' A' ' 507' ' ' LYS . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 517' ' ' ILE . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.426 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.468 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.584 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 455' ' ' ILE . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 450' ' ' PHE . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.756 HG23 HG13 ' A' ' 476' ' ' VAL . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.506 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.756 HG13 HG23 ' A' ' 455' ' ' ILE . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.448 ' HB2' HD22 ' A' ' 453' ' ' LEU . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 484' ' ' TYR . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.584 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.544 HD13 ' CB ' ' A' ' 495' ' ' MET . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 514' ' ' ILE . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 517' ' ' ILE . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.979 HD12 ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.522 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.634 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.546 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.85 ' HB3' HD12 ' A' ' 453' ' ' LEU . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.85 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.783 HG23 HG13 ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 476' ' ' VAL . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.477 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.783 HG13 HG23 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.486 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.688 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.63 ' C ' HD12 ' A' ' 500' ' ' ILE . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.688 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . 0.538 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.402 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 514' ' ' ILE . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' A' ' 517' ' ' ILE . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 514' ' ' ILE . 15.6 mtt-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 500' ' ' ILE . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 460' ' ' ILE . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.462 ' CB ' HD11 ' A' ' 455' ' ' ILE . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 483' ' ' ASP . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 476' ' ' VAL . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.509 HG23 HG11 ' A' ' 446' ' ' VAL . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.488 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.83 HG13 HG23 ' A' ' 455' ' ' ILE . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.685 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.595 ' CB ' HD13 ' A' ' 500' ' ' ILE . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.74 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 490' ' ' ARG . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 517' ' ' ILE . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 514' ' ' ILE . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.643 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 447' ' ' ILE . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 444' ' ' LYS . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.618 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.645 ' HB3' HD12 ' A' ' 453' ' ' LEU . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 450' ' ' PHE . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 476' ' ' VAL . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.609 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . 0.522 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 455' ' ' ILE . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.456 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . 0.42 ' HB3' HD21 ' A' ' 453' ' ' LEU . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.618 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' ' 511' ' ' LEU . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.736 HD11 ' HE2' ' A' ' 507' ' ' LYS . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 517' ' ' ILE . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 514' ' ' ILE . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 450' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 500' ' ' ILE . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' PRO . . . . . 0.592 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' VAL . . . . . 0.461 HG11 HG23 ' A' ' 460' ' ' ILE . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' PHE . . . . . 0.529 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 483' ' ' ASP . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' ILE . . . . . 0.627 HG23 HG13 ' A' ' 476' ' ' VAL . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ILE . . . . . 0.461 HG23 HG11 ' A' ' 446' ' ' VAL . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' TYR . . . . . 0.606 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' TYR . . . . . 0.417 ' C ' HG23 ' A' ' 471' ' ' THR . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 464' ' ' TYR . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.627 HG13 HG23 ' A' ' 455' ' ' ILE . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' ASP . . . . . 0.724 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' TYR . . . . . 0.539 ' CE1' HD21 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' GLN . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' MET . . . . . 0.755 ' HB2' HD13 ' A' ' 500' ' ' ILE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 500' ' ' ILE . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' VAL . . . . . 0.466 HG22 HD21 ' A' ' 434' ' ' LEU . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' MET . . . . . 0.516 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 514' ' ' ILE . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 517' ' ' ILE . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 514' ' ' ILE . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 59.8 p -86.46 114.3 23.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 36.2 p -52.92 -44.61 67.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 45.95 -158.65 0.31 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 35.2 t -143.02 152.89 42.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.905 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 79.7 p -144.41 173.43 11.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -105.28 156.74 16.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 32.9 mtpt -121.47 114.74 21.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.802 0.334 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 29.5 t -125.92 80.6 67.2 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.672 0.749 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 156.53 63.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.722 2.282 . . . . 0.0 112.364 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 13.6 m -155.3 150.66 27.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 417' ' ' GLN . . . 89.11 -42.84 3.03 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.456 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' GLY . 0.1 OUTLIER 37.04 39.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.364 . . . . 0.0 110.897 -179.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -132.41 152.89 51.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.44 164.17 21.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 57.2 p -126.56 146.68 50.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 4.5 ptt-85 -127.5 179.88 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 93.0 p -123.08 129.14 51.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.421 ' NH1' ' HB2' ' A' ' 423' ' ' ARG . 11.8 ttm105 -71.57 -59.04 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.5 m -132.66 143.98 51.0 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.653 0.74 . . . . 0.0 110.834 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 112.77 3.17 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.668 2.245 . . . . 0.0 112.36 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -131.7 159.07 39.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -60.79 149.5 35.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -174.4 141.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -73.22 -152.62 2.08 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.513 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 65.4 m-85 -109.42 112.75 25.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 55.9 m -130.68 163.87 26.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.496 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -138.06 138.58 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.447 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 2.1 t80 -105.48 116.62 32.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.576 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.7 mt -104.49 128.89 52.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.447 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 17.0 mtpt -127.21 129.93 48.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.412 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 120.46 -7.26 11.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.454 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 63.7 mt -42.8 152.38 0.36 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.581 0.705 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 171.32 14.64 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.67 2.247 . . . . 0.0 112.357 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -70.98 -33.08 70.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -99.9 20.89 13.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -44.01 153.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.114 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 35.1 mt-10 -155.31 151.83 28.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 442' ' ' GLU . 13.0 m120 -37.04 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 11.4 ptpt -59.83 -48.18 82.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 64.7 m80 -55.65 -47.39 76.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.436 ' CG2' HD11 ' A' ' 462' ' ' ILE . 24.0 t -57.36 -35.32 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 37.7 mt -76.52 -44.55 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.459 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 32.3 t70 -56.86 -21.82 32.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -80.32 -51.3 9.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.576 ' HE2' HD11 ' A' ' 434' ' ' LEU . 52.0 m-85 -104.06 44.74 1.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.459 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.5 mtmm -60.07 170.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp 58.48 30.73 20.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 450' ' ' PHE . 23.6 mt -139.13 165.7 26.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -96.98 97.12 8.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.806 HG23 HG13 ' A' ' 476' ' ' VAL . 60.5 mt -114.0 128.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.104 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 458' ' ' ASP . 10.2 t -68.56 96.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.161 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -38.12 -31.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 456' ' ' VAL . 6.6 m-20 -74.31 -50.37 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 83.1 p -52.48 -49.36 64.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 4.6 mt -38.58 103.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.526 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 17.7 t80 -117.76 138.47 52.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.436 HD11 ' CG2' ' A' ' 446' ' ' VAL . 95.3 mt -130.59 132.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.15 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.94 132.43 35.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.495 ' O ' HD21 ' A' ' 521' ' ' LEU . 37.9 m-85 -118.22 138.24 52.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.964 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.76 166.53 49.22 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.496 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.82 12.78 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -108.44 17.21 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 68.19 34.23 80.27 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -134.27 129.65 35.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.9 122.76 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.133 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 6.8 p -68.73 -26.05 65.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 108.03 39.32 1.86 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -146.83 134.57 21.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.937 0.399 . . . . 0.0 110.902 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.18 170.34 25.44 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -145.31 142.38 29.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.378 . . . . 0.0 110.896 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.806 HG13 HG23 ' A' ' 455' ' ' ILE . 16.4 t -138.97 149.21 23.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.15 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -130.1 115.79 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.502 ' CE1' HG12 ' A' ' 455' ' ' ILE . 67.5 m-85 -85.97 118.85 25.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 34.5 mmt-85 -48.66 -58.25 5.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -75.99 176.58 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 21.8 tt0 -101.67 -50.94 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.08 -33.7 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.066 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -77.6 -24.46 49.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.513 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.0 t80 -72.9 -45.28 59.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -56.68 -40.72 76.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.6 -39.89 89.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.455 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.47 -42.14 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.152 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -66.67 -32.17 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.5 m -67.74 -6.61 21.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.9 mtp85 -106.17 54.41 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.496 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 75.6 t60 -96.09 165.39 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.496 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 6.5 ttmm 55.79 47.15 20.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 61.0 mm-40 -110.15 163.44 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.591 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 30.5 m-85 -121.35 118.07 28.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . . . . . . . . . 11.3 tpp -67.75 81.09 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -73.24 1.0 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 497' ' ' ASN . 0.9 OUTLIER -130.43 -3.92 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.919 -179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 32.5 mmt-85 -108.96 167.57 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.937 ' C ' HD12 ' A' ' 500' ' ' ILE . 32.0 t80 -114.65 132.29 56.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.937 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -134.8 146.06 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -106.56 141.38 37.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 97.5 t -109.16 123.63 65.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.135 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -139.81 136.04 17.11 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.608 0.718 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 136.99 34.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.664 2.242 . . . . 0.0 112.369 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.7 tt -140.64 144.6 26.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 6.7 p -77.43 133.89 38.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.604 ' HE3' HD11 ' A' ' 511' ' ' LEU . 4.7 tmtm? -38.2 -60.24 0.79 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.3 OUTLIER -46.84 -53.31 12.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -63.0 -32.35 83.83 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 43.7 ttp -61.54 -44.58 96.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.604 HD11 ' HE3' ' A' ' 507' ' ' LYS . 54.6 mt -68.07 -38.32 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -42.32 -52.52 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -67.05 -53.45 31.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.526 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 60.6 mt -45.57 -26.8 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.8 -52.16 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -62.56 -32.11 73.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . . . . . . . . . 46.5 mt -67.87 -42.43 85.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.68 -40.74 97.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -56.21 -15.32 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -89.78 -26.38 20.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 464' ' ' TYR . 93.1 mt -94.11 -29.11 15.33 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.88 132.98 45.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 41.7 m -113.23 104.06 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -167.43 149.13 14.04 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -14.42 36.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.311 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 42.3 m -76.75 133.72 39.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.3 t -56.0 -50.34 71.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 55.6 m -142.28 178.61 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.878 0.37 . . . . 0.0 110.829 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 44.1 p -148.4 161.77 40.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -119.89 142.11 15.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.0 t -142.58 176.09 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 89.7 p -144.5 169.38 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.59 95.64 0.12 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -117.88 126.04 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.329 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 55.0 p -119.25 142.03 31.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.653 0.739 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 121.64 8.35 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 32.8 p -170.38 143.77 2.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -178.93 87.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.445 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -146.4 142.83 28.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -112.34 43.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -135.17 111.17 9.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.854 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.6 p -156.56 141.6 17.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -114.96 150.48 35.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 45.2 m -72.86 -56.88 4.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.86 -51.3 5.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.8 m -63.3 150.32 89.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.686 0.755 . . . . 0.0 110.856 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 172.83 11.94 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.303 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -75.86 -62.21 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.827 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 48.33 1.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . 38.22 33.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 101.65 -165.85 18.0 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.57 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 30.8 m-85 -128.51 104.82 7.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.903 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 98.7 m -127.28 153.79 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.63 140.73 46.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.635 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 2.1 t80 -104.96 109.78 21.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.606 HD11 ' HE2' ' A' ' 450' ' ' PHE . 34.1 mt -98.91 130.53 45.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.475 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 3.9 mtpm? -130.48 116.89 18.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.6 -15.72 3.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 96.2 mt -36.54 150.47 0.13 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.662 0.744 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.614 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.9 Cg_endo -69.75 177.03 5.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -77.31 -26.84 52.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -110.99 29.02 8.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.614 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -63.35 150.85 42.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -141.31 161.3 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -45.68 -30.45 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -66.72 -42.14 86.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -62.4 -44.07 97.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.67 -41.04 83.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.1 mt -64.9 -36.81 78.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -62.48 -40.92 98.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.562 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 20.0 t80 -63.29 -31.32 72.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.606 ' HE2' HD11 ' A' ' 434' ' ' LEU . 42.5 m-85 -122.85 51.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.83 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -72.75 167.77 20.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.484 ' O ' HD23 ' A' ' 453' ' ' LEU . 29.8 mttt 61.86 34.19 17.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.948 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.663 HD22 ' HB2' ' A' ' 483' ' ' ASP . 36.5 mt -147.74 -176.08 5.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.954 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -110.57 110.53 21.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.828 HG23 HG13 ' A' ' 476' ' ' VAL . 70.6 mt -129.19 114.23 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.413 HG23 ' H ' ' A' ' 456' ' ' VAL . 3.2 t -57.99 105.41 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -45.48 -22.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -80.0 -53.54 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 77.4 p -47.89 -48.44 31.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.867 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 2.2 mt -37.73 106.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.487 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.4 t80 -120.88 122.8 41.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 71.6 mt -118.41 130.21 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.04 127.61 33.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -111.0 131.16 55.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -57.89 173.88 2.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.554 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -11.07 30.05 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.692 2.261 . . . . 0.0 112.318 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -100.42 9.68 42.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.02 -30.49 6.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -62.91 173.51 1.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -96.01 121.04 37.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -60.29 -41.3 93.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 120.29 24.63 2.64 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -128.77 117.73 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.383 . . . . 0.0 110.902 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -131.45 169.26 21.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.458 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.635 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 67.4 m-85 -145.27 143.63 30.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.922 0.391 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.828 HG13 HG23 ' A' ' 455' ' ' ILE . 15.0 t -138.37 152.99 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.129 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.425 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.8 tt0 -129.44 127.5 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.431 ' CE1' HG12 ' A' ' 455' ' ' ILE . 88.0 m-85 -99.39 120.45 39.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -51.56 -67.67 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -69.7 175.33 4.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.417 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 34.0 tt0 -105.53 -36.28 7.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.27 -32.48 66.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.112 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.663 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.6 p-10 -82.49 -34.71 27.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.57 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -57.07 -53.39 58.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -49.62 -42.65 45.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.93 -51.32 70.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -39.03 -56.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.47 -43.77 11.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 3.4 t -50.89 -37.65 44.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 7.5 mtp85 -74.51 61.6 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 30.7 t60 -106.79 154.61 20.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.586 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 28.9 mttt 62.25 43.63 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 64.3 mm-40 -105.62 162.0 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -117.62 116.68 27.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.983 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.424 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 26.2 tpp -73.51 88.17 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.29 -82.85 0.44 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . 0.485 ' O ' ' ND2' ' A' ' 497' ' ' ASN . 8.3 t30 -128.48 10.68 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -124.25 167.06 14.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.909 ' C ' HD12 ' A' ' 500' ' ' ILE . 59.7 t80 -114.13 137.14 52.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.909 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -132.11 150.9 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -107.95 144.98 34.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.417 HG21 ' HE1' ' A' ' 449' ' ' PHE . 55.6 t -117.6 117.34 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -135.28 134.64 21.51 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.609 0.718 . . . . 0.0 110.825 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 136.45 32.95 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 8.2 tt -150.15 145.73 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -82.31 159.23 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -48.83 -42.3 35.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.833 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -60.14 -69.25 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.928 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.63 -31.98 7.65 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 54.2 ttp -69.37 -45.82 68.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 60.4 mt -69.19 -35.46 76.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -47.21 -43.7 21.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -75.3 -54.72 6.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.534 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.8 mt -46.14 -22.5 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.119 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.75 -43.77 29.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.2 ptt? -70.1 -29.64 66.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.534 HD12 ' HA ' ' A' ' 514' ' ' ILE . 35.1 mt -71.43 -40.71 72.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -59.52 -51.12 71.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.84 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -54.72 -30.87 57.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -68.23 -21.17 64.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 54.5 mt -103.23 -33.17 9.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -97.87 37.3 1.42 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 91.1 p -42.8 164.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -69.56 -94.97 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.491 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 131.55 21.41 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.714 2.276 . . . . 0.0 112.309 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 47.9 t -106.37 92.89 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.2 t -160.37 155.59 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 1.8 m -172.11 152.64 2.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 60.0 p -169.94 177.46 4.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 151.79 125.52 1.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 55.2 m -134.28 125.71 28.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 1.1 t -165.49 140.33 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.62 77.55 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.487 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -144.64 168.43 20.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.3 m -159.1 142.54 10.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 128.44 16.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.685 2.257 . . . . 0.0 112.319 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.3 t -134.15 135.17 42.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 148.93 88.65 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -166.53 142.94 4.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -141.66 143.57 33.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -124.05 150.18 45.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 39.9 m -163.2 133.08 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.85 -175.79 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.3 p -118.86 49.79 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -79.83 77.21 6.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 71.3 m -141.08 144.2 34.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.682 0.754 . . . . 0.0 110.831 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 426' ' ' HIS . 54.0 Cg_endo -69.79 165.38 31.19 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.371 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 425' ' ' PRO . 11.1 t-160 -36.1 -60.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -143.17 165.14 28.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -173.67 154.41 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -69.32 -167.69 5.52 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 481' ' ' GLU . 14.1 m-85 -121.54 99.45 6.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.869 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 80.2 m -129.88 168.66 16.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.55 HG21 ' CE2' ' A' ' 450' ' ' PHE . 2.4 m -137.24 134.7 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.774 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 9.2 t80 -100.9 109.59 21.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.551 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -96.79 132.07 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.515 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 28.7 mtpt -131.07 120.79 23.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 138.56 -19.0 3.2 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.505 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 436' ' ' GLY . 93.4 mt -37.29 143.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 110.927 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.466 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.9 Cg_endo -69.79 175.22 8.41 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.742 2.295 . . . . 0.0 112.348 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -72.13 -19.06 61.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -108.61 12.98 25.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -45.02 143.38 1.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -138.74 159.89 41.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -49.24 -33.02 11.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.694 ' HA ' HD12 ' A' ' 447' ' ' ILE . 25.1 pttt -65.07 -44.1 90.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 16.1 m80 -58.42 -47.12 84.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.465 HG11 HG23 ' A' ' 460' ' ' ILE . 88.5 t -57.54 -31.42 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.173 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 444' ' ' LYS . 26.5 mt -73.99 -44.86 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.152 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 15.5 t0 -60.72 -25.06 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.441 ' O ' ' NH1' ' A' ' 490' ' ' ARG . 5.3 t80 -74.68 -47.28 32.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.679 ' CB ' HD11 ' A' ' 455' ' ' ILE . 15.1 m-85 -103.33 48.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.1 mmmm -68.48 159.19 32.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 6.4 tppt? 70.44 26.05 4.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.751 HD23 ' O ' ' A' ' 452' ' ' LYS . 15.0 mt -141.51 168.17 20.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -96.97 104.12 16.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.807 HG23 HG13 ' A' ' 476' ' ' VAL . 72.8 mt -119.2 127.74 75.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.49 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.6 t -73.07 96.37 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.134 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 456' ' ' VAL . 71.0 mt-10 -36.05 -32.03 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -73.65 -46.86 44.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 456' ' ' VAL . 87.7 p -54.96 -44.14 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.465 HG23 HG11 ' A' ' 446' ' ' VAL . 2.3 mt -42.03 112.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.137 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.3 t80 -122.76 132.24 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 41.4 mt -128.74 135.77 61.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.74 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -84.16 125.62 32.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.08 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.65 ' O ' HD21 ' A' ' 521' ' ' LEU . 55.5 m-85 -117.23 113.1 21.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -45.93 162.82 0.13 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.487 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -18.61 36.65 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -87.63 -4.58 58.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.76 42.12 4.85 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -144.21 126.51 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.77 0.319 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -46.67 126.85 8.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.401 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 10.7 p -68.9 -33.59 74.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 110.92 27.82 4.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -134.73 111.16 9.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.19 159.63 15.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.774 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.7 m-85 -140.98 140.45 34.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.861 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.807 HG13 HG23 ' A' ' 455' ' ' ILE . 17.7 t -138.74 154.03 26.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.44 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 32.5 tt0 -131.1 132.76 45.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -103.36 120.59 41.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -47.32 -65.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -72.34 162.83 28.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.56 ' HG3' ' CE1' ' A' ' 430' ' ' PHE . 16.0 tt0 -96.28 -26.7 15.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -67.37 -36.46 81.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 4.5 p-10 -79.32 -30.69 42.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.477 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.6 t80 -58.35 -44.6 88.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -57.06 -47.56 80.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.99 -42.73 63.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -44.85 -45.31 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.19 -32.33 68.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 8.3 t -61.87 -18.69 61.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 37.9 mtp180 -96.05 40.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -86.19 158.24 19.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt 55.99 48.4 17.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 41.1 mm-40 -110.27 160.36 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.2 m-85 -110.0 136.83 48.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.47 ' CB ' HD13 ' A' ' 500' ' ' ILE . 35.3 tpp -95.88 85.36 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.35 -80.53 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -125.18 -12.79 6.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.828 0.347 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -100.78 -179.84 4.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.735 ' C ' HD12 ' A' ' 500' ' ' ILE . 52.2 t80 -126.06 131.14 52.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.735 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -128.87 144.57 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.124 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -110.57 144.03 40.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.551 HG22 ' CD2' ' A' ' 434' ' ' LEU . 50.7 t -110.87 118.95 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -129.95 133.02 24.51 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.803 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 124.34 10.97 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.677 2.252 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 11.3 tt -135.34 136.24 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 65.0 p -66.2 147.16 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.665 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 0.9 OUTLIER -39.2 -49.78 1.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -51.82 68.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.32 -32.93 64.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.4 ttp -64.82 -43.0 94.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.665 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 23.2 mt -70.51 -34.95 72.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -43.37 -46.8 6.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.96 -58.16 4.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 57.4 mt -40.39 -29.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -71.31 -51.1 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.454 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 3.6 ptp -61.58 -29.61 70.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.74 HD13 ' HB2' ' A' ' 463' ' ' ALA . 43.7 mt -72.2 -44.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 59.0 mtp180 -48.84 -50.27 35.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 9.1 mmmm -53.39 -46.18 69.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -51.11 -39.33 55.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.65 HD21 ' O ' ' A' ' 464' ' ' TYR . 39.0 mt -82.33 -68.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -39.93 140.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.8 m -79.09 -51.2 9.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -166.24 146.02 10.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -43.35 2.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.711 2.274 . . . . 0.0 112.318 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 40.2 m -59.13 99.21 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.858 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.8 m -118.09 145.62 44.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 50.4 p -121.2 143.3 49.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.85 0.357 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 13.5 t -90.39 151.6 21.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -155.36 -151.48 5.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 71.0 m -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 110.889 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 72.4 m -81.05 -60.82 2.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 165.53 -159.12 32.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.54 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -113.38 129.59 56.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 8.7 t -173.93 142.23 0.88 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 177.86 5.12 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.367 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 56.5 p -129.36 85.15 2.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 140.28 31.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -76.25 88.2 3.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.891 0.377 . . . . 0.0 110.875 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -71.69 169.98 14.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -115.29 -55.9 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.3 t -168.94 175.02 6.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -88.47 111.35 21.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 t -41.58 133.76 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -80.04 -61.08 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 13.1 t -122.21 142.38 36.65 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.651 0.739 . . . . 0.0 110.826 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . 0.598 ' O ' ' CD2' ' A' ' 426' ' ' HIS . 53.4 Cg_endo -69.81 89.3 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 425' ' ' PRO . 41.9 m-70 -171.0 139.06 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -102.52 157.04 17.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -119.43 -52.78 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 156.69 -163.25 32.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.411 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 17.2 m-85 -132.73 98.07 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 110.845 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 34.1 m -132.12 170.98 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.474 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 3.4 m -141.77 130.34 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.736 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.0 t80 -100.78 111.49 23.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 32.3 mt -98.04 143.63 28.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.492 ' HE3' ' CE2' ' A' ' 433' ' ' TYR . 30.9 mttt -138.05 116.35 11.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 138.79 -15.76 3.32 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.512 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.7 mt -38.29 147.93 0.25 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.569 0.699 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.805 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.2 Cg_endo -69.75 178.94 4.06 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.632 2.221 . . . . 0.0 112.38 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . 0.467 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 24.7 m-85 -78.41 -25.66 46.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -103.26 16.69 25.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -43.09 145.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -144.08 151.17 39.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -38.65 -34.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 445' ' ' HIS . 6.6 ptpt -60.89 -52.11 66.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.475 ' N ' ' CG ' ' A' ' 444' ' ' LYS . 72.5 m80 -50.03 -49.16 51.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.68 HG11 HG23 ' A' ' 460' ' ' ILE . 48.1 t -56.32 -33.98 39.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.4 mt -74.16 -38.16 47.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.7 t70 -68.78 -30.27 68.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.585 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 13.3 t80 -66.83 -38.73 86.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.462 ' HB3' HD12 ' A' ' 453' ' ' LEU . 36.0 m-85 -121.81 56.15 1.08 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.452 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.6 mtmm -67.67 163.15 22.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 62.08 41.39 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.854 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 450' ' ' PHE . 31.7 mt -151.86 168.84 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -99.08 108.68 21.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.836 HG23 HG13 ' A' ' 476' ' ' VAL . 71.2 mt -127.28 117.17 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 459' ' ' SER . 6.8 t -60.1 93.3 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 456' ' ' VAL . 39.7 mt-10 -37.76 -30.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.486 ' HB3' HG12 ' A' ' 456' ' ' VAL . 3.3 t0 -70.94 -44.5 65.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 456' ' ' VAL . 55.9 p -60.72 -49.12 78.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.68 HG23 HG11 ' A' ' 446' ' ' VAL . 14.2 mt -34.43 104.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.106 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.763 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.0 t80 -115.0 138.57 50.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.953 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.438 HD11 ' CG2' ' A' ' 446' ' ' VAL . 74.4 mt -135.48 124.78 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 517' ' ' ILE . . . -82.02 140.95 33.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -127.67 140.02 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.86 -179.88 40.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -21.85 33.03 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.681 2.254 . . . . 0.0 112.392 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -86.41 35.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 48.82 29.11 7.76 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -119.99 174.98 6.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.805 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.99 121.33 33.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 18.7 p -61.14 -46.11 91.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.114 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 126.07 28.19 1.05 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -130.38 112.66 13.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.902 0.382 . . . . 0.0 110.881 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -120.83 159.18 15.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.736 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 29.6 m-85 -140.45 136.77 33.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.887 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.836 HG13 HG23 ' A' ' 455' ' ' ILE . 14.1 t -138.09 147.39 25.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -129.36 126.31 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.674 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 71.6 m-85 -93.96 118.47 31.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 14.3 mmm-85 -46.84 -53.47 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -84.57 168.96 14.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.411 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.5 tt0 -98.18 -37.64 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.96 -35.12 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.431 ' HB2' HD22 ' A' ' 453' ' ' LEU . 31.4 p-10 -81.08 -28.94 35.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.5 t80 -60.03 -48.22 82.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.52 -32.26 66.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.879 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -63.08 -49.46 74.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.674 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -41.64 -45.68 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -57.86 -35.4 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . 0.406 ' N ' ' O ' ' A' ' 486' ' ' ALA . 5.1 t -60.56 -14.37 19.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -102.21 51.09 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -93.48 151.98 19.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 23.8 mttm 62.55 42.19 8.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -104.61 170.93 7.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 3.2 m-85 -121.75 139.57 53.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.585 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 36.8 tpp -93.7 85.02 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.856 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.46 -78.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.53 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -129.96 -2.13 4.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -111.31 167.48 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.737 ' C ' HD12 ' A' ' 500' ' ' ILE . 33.3 t80 -110.57 132.3 54.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.737 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.2 mp -130.15 140.92 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -100.97 154.28 18.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 73.2 t -122.88 124.73 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -142.94 130.33 10.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.659 0.743 . . . . 0.0 110.851 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 141.87 46.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . 0.496 HD11 ' O ' ' A' ' 509' ' ' GLY . 18.6 tt -148.44 149.87 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.14 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 509' ' ' GLY . 25.5 p -78.42 140.92 38.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 506' ' ' THR . 0.4 OUTLIER -34.52 -56.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -53.28 -41.61 65.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . 0.496 ' O ' HD11 ' A' ' 505' ' ' ILE . . . -71.71 -12.01 73.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.9 ttp -89.06 -33.29 17.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.1 mt -82.29 -36.02 27.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 513' ' ' LYS . 19.5 pt-20 -49.65 -53.43 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' CG ' ' A' ' 512' ' ' GLU . 62.8 mttm -63.6 -46.8 84.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.763 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 71.4 mt -52.13 -20.22 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -84.16 -55.99 3.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.453 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 17.8 ptp -55.24 -37.51 67.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.597 HG21 ' HB1' ' A' ' 463' ' ' ALA . 23.8 mt -58.76 -50.58 78.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -52.43 -52.09 55.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -45.86 -49.89 14.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 29.0 mmt85 -44.81 -42.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 88.5 mt -78.38 -59.94 2.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -53.76 148.51 9.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 524' ' ' GLY . 20.8 p -117.63 132.76 56.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 523' ' ' SER . . . 33.95 -96.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.472 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . 0.432 ' N ' ' O ' ' A' ' 523' ' ' SER . 53.9 Cg_endo -69.69 151.19 69.4 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.671 2.247 . . . . 0.0 112.362 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 24.5 m -98.39 -50.06 4.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 40.5 t -135.15 134.75 40.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.937 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 73.5 m -147.54 136.66 22.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 77.6 p -89.46 154.13 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 85.47 93.95 0.79 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 51.6 p -109.49 134.8 51.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 2.7 m -171.22 172.64 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.24 109.05 0.31 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -45.99 151.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 2.5 m -132.65 85.77 46.46 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 142.69 48.83 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.394 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.5 m -46.45 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 123.86 90.4 0.91 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -77.74 143.29 38.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.893 0.378 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -112.11 38.52 2.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 38.9 38.78 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 77.9 p -92.17 83.94 5.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -82.07 91.84 6.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.865 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 35.2 t -116.31 150.88 36.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -107.83 128.59 54.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 63.8 p -121.73 80.74 40.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.636 0.732 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -16.88 37.95 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.675 2.25 . . . . 0.0 112.376 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -43.72 161.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.05 172.07 14.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -129.18 121.05 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -106.06 -134.54 7.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 88.5 m-85 -118.85 120.27 36.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 110.841 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 56.6 m -132.46 169.31 16.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.5 m -139.35 136.48 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.656 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 7.7 t80 -103.57 111.65 24.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.609 HD11 ' CE2' ' A' ' 450' ' ' PHE . 37.2 mt -100.48 128.65 46.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.937 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.412 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 47.3 mtmt -126.79 136.28 52.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 115.74 -13.34 17.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.497 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 64.3 mt -35.17 149.57 0.1 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.614 0.721 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 53.4 Cg_endo -69.77 167.2 25.13 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -69.62 -21.27 63.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -111.4 23.53 13.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -57.48 146.42 29.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 445' ' ' HIS . 6.6 mm-40 -145.94 161.4 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -41.6 -29.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 10.6 ptpt -70.11 -41.92 73.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.436 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 70.8 m80 -62.71 -45.32 93.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 HG23 ' A' ' 460' ' ' ILE . 64.2 t -59.4 -36.77 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.72 -49.81 43.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.48 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 0.5 OUTLIER -52.93 -25.24 11.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.848 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 16.7 t80 -75.95 -47.87 23.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.681 ' CB ' HD11 ' A' ' 455' ' ' ILE . 35.8 m-85 -103.44 47.45 0.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.48 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 3.6 mmmm -67.32 167.97 11.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? 61.24 29.59 18.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.563 HD22 ' HB2' ' A' ' 483' ' ' ASP . 33.7 mt -141.16 176.23 9.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.41 97.87 7.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.81 HG23 HG13 ' A' ' 476' ' ' VAL . 70.9 mt -113.1 136.43 49.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.158 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -79.66 99.47 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -38.99 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 456' ' ' VAL . 30.2 t70 -71.13 -55.25 8.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 460' ' ' ILE . 80.2 p -51.24 -49.8 60.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.476 HG23 HG11 ' A' ' 446' ' ' VAL . 4.0 mt -35.68 104.45 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.672 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.4 t80 -114.73 143.16 45.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.43 HD11 ' CG2' ' A' ' 446' ' ' VAL . 75.1 mt -139.13 136.32 42.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.652 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -86.75 118.96 26.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.101 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -109.65 114.81 28.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -48.16 175.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -12.29 32.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.673 2.249 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -101.39 13.64 34.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -22.54 8.51 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -65.4 172.93 2.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -91.3 133.17 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.106 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 17.6 p -71.95 -28.0 63.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.87 34.35 3.79 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -149.48 127.48 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.899 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -136.81 166.26 24.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.656 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 63.7 m-85 -142.74 143.77 32.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.916 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.81 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -140.75 145.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -124.86 118.81 27.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.453 ' CE1' HG12 ' A' ' 455' ' ' ILE . 75.5 m-85 -87.76 139.31 30.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -57.94 -67.75 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . 0.57 ' ND2' ' H ' ' A' ' 480' ' ' ASN . 0.4 OUTLIER -85.06 177.53 7.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 42.7 tt0 -95.54 -38.31 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -49.58 -41.49 41.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.563 ' HB2' HD22 ' A' ' 453' ' ' LEU . 14.0 p-10 -79.14 -23.16 44.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 3.5 t80 -68.53 -56.63 7.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -44.99 -44.71 10.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 489' ' ' CYS . . . -56.48 -49.05 75.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.495 ' HB1' ' CE1' ' A' ' 450' ' ' PHE . . . -41.38 -39.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.492 ' HA ' HG11 ' A' ' 502' ' ' VAL . 3.0 mm? -69.59 -34.27 73.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . 0.472 ' N ' ' O ' ' A' ' 486' ' ' ALA . 1.4 p -69.81 -2.5 12.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.418 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 43.9 mtp180 -100.57 36.21 1.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 77.6 t60 -81.23 160.82 24.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 14.7 mtmt 63.59 51.81 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 61.7 mm-40 -120.46 148.22 44.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.512 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 8.4 m-85 -109.84 127.68 54.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.65 ' HB2' HD13 ' A' ' 500' ' ' ILE . 6.9 tpp -85.03 83.65 7.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.901 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.73 -84.64 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.456 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -121.25 -5.74 9.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -110.12 167.9 9.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.775 ' C ' HD12 ' A' ' 500' ' ' ILE . 13.2 t80 -114.4 131.73 56.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.775 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -122.92 149.53 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -117.33 147.46 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.492 HG11 ' HA ' ' A' ' 488' ' ' LEU . 25.6 t -108.62 126.66 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -142.6 128.07 10.33 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.57 0.7 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 138.96 39.13 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.6 tt -150.53 137.29 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 2.4 p -69.94 153.37 43.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -42.77 -54.62 4.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -49.17 -63.09 1.2 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -49.01 -41.8 29.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . 0.47 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 30.7 ttp -63.26 -43.21 98.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.807 0.337 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 514' ' ' ILE . 43.7 mt -71.59 -32.61 68.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -56.85 -44.35 82.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 30.3 mttm -70.24 -53.06 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.672 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 66.7 mt -42.65 -42.16 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.146 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -60.37 -49.36 77.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 12.9 mtm -56.47 -44.39 80.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.652 HD13 ' HB2' ' A' ' 463' ' ' ALA . 23.7 mt -59.38 -56.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -49.61 -56.8 8.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -41.23 -43.28 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -53.11 -42.42 65.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.863 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 522' ' ' GLN . 30.3 mt -82.42 -57.83 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 521' ' ' LEU . 63.7 mm-40 -36.5 -52.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.858 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 3.2 m 60.7 42.23 13.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -179.39 176.06 47.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -179.9 3.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.629 2.22 . . . . 0.0 112.382 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.4 m -97.95 42.25 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 70.0 p 38.12 42.12 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.3 p -132.02 149.89 52.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 82.9 p -147.97 166.75 26.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -176.2 88.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 14.1 t -105.65 158.34 16.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.938 0.399 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 21.5 t -54.74 135.26 47.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -164.13 -73.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.555 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.5 pttt -43.15 100.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 95.7 p -169.63 144.47 2.41 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.702 0.763 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.13 43.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 26.1 t -61.07 -45.13 96.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 126.44 95.72 0.96 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.519 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -147.82 122.42 9.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 110.931 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -79.03 142.37 36.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -97.95 -47.23 5.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 97.0 p -98.65 114.66 27.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 5.0 t -146.35 142.72 28.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.423 ' NH1' ' HB2' ' A' ' 423' ' ' ARG . 0.1 OUTLIER -77.83 -59.86 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 70.9 m -131.52 144.23 52.49 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 0.0 110.864 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -44.78 1.88 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.702 2.268 . . . . 0.0 112.354 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 15.8 t-160 -84.65 77.77 9.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.32 131.35 2.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -127.71 123.73 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.091 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 56.31 163.81 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.474 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.0 m-85 -114.07 104.85 12.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 110.874 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.0 m -132.57 168.78 17.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -139.85 137.08 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.075 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.761 ' CE1' ' CE1' ' A' ' 475' ' ' PHE . 9.6 t80 -101.02 118.19 36.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.954 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.499 HD22 HG21 ' A' ' 500' ' ' ILE . 36.6 mt -106.94 127.71 53.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.501 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 21.7 mtpp -126.92 114.4 17.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.85 -16.17 2.39 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.8 mt -36.83 151.02 0.12 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.596 0.712 . . . . 0.0 110.91 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.642 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.7 Cg_endo -69.77 168.11 22.52 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.353 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -68.8 -35.46 77.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.85 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -103.31 29.03 5.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.642 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -60.78 170.14 1.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.084 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -161.49 156.92 24.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -39.09 -43.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.616 ' HA ' HD12 ' A' ' 447' ' ' ILE . 10.0 ptpt -56.41 -46.87 79.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 44.9 m80 -54.81 -48.38 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.89 -38.6 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 444' ' ' LYS . 76.5 mt -57.4 -49.37 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.03 -48.49 81.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.749 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 21.5 t80 -40.55 -42.47 1.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.841 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.6 m-85 -114.99 50.91 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -57.69 160.47 4.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.535 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.7 mmmt 61.96 35.13 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 450' ' ' PHE . 34.9 mt -146.11 165.54 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -94.27 99.81 11.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.777 HD11 ' HB2' ' A' ' 450' ' ' PHE . 62.0 mt -110.64 93.84 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 459' ' ' SER . 10.0 t -48.0 92.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 456' ' ' VAL . 45.7 mt-10 -35.35 -48.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.75 -45.92 77.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 456' ' ' VAL . 51.4 p -61.74 -46.19 90.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.518 HD11 HG22 ' A' ' 455' ' ' ILE . 9.1 mt -37.12 114.69 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.737 ' CE2' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -127.72 133.39 49.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 96.9 mt -129.5 135.59 61.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.482 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.41 124.15 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.21 133.46 55.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.02 172.79 29.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.322 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -104.61 15.55 27.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.37 -30.27 3.76 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -63.04 168.73 3.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.749 0.309 . . . . 0.0 110.93 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -89.35 134.96 33.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 5.8 p -70.24 -34.84 73.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 112.74 21.06 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.451 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -133.44 120.59 21.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.915 0.388 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.67 170.14 18.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.511 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.761 ' CE1' ' CE1' ' A' ' 433' ' ' TYR . 22.6 m-85 -144.62 138.5 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.695 HG13 HG23 ' A' ' 455' ' ' ILE . 14.4 t -137.38 145.63 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -125.63 123.99 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.484 ' CD2' ' HA ' ' A' ' 484' ' ' TYR . 84.4 m-85 -91.46 124.0 35.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -53.83 -54.63 35.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -82.15 163.54 21.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.474 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 70.3 tt0 -95.65 -16.39 22.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -74.8 -43.03 56.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.105 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.67 ' HB2' HD22 ' A' ' 453' ' ' LEU . 23.6 p-10 -69.88 -42.11 73.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.484 ' HA ' ' CD2' ' A' ' 478' ' ' PHE . 3.6 t80 -48.66 -43.07 36.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.5 mtmp? -63.91 -36.5 84.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -68.28 -34.75 76.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.096 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -54.61 -46.25 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.455 ' HA ' HD13 ' A' ' 488' ' ' LEU . 3.0 mm? -54.45 -38.53 66.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.0 t -64.19 -8.75 13.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.88 42.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.45 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 82.3 t60 -86.72 159.21 19.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.45 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 30.7 mttt 57.95 44.24 20.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.8 mm-40 -99.4 150.74 21.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.42 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 57.4 m-85 -113.4 114.86 27.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.749 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 30.9 tpp -72.08 80.58 0.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.76 -78.25 0.63 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -122.05 -17.95 7.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -99.26 172.01 7.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.827 ' C ' HD12 ' A' ' 500' ' ' ILE . 91.5 t80 -122.16 138.0 54.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.827 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.9 mp -128.97 144.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . 0.602 ' CD ' ' CD2' ' A' ' 503' ' ' HIS . 2.7 tt0 -100.27 139.07 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 92.2 t -111.08 120.75 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . 0.602 ' CD2' ' CD ' ' A' ' 501' ' ' GLN . 44.2 m-70 -140.43 136.1 16.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.593 0.711 . . . . 0.0 110.85 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 136.37 32.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.684 2.256 . . . . 0.0 112.33 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.7 tt -145.51 134.54 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 38.0 p -67.33 154.06 42.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.764 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -47.56 -54.29 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.922 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 508' ' ' LYS . 0.1 OUTLIER -54.11 -62.46 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -48.88 -30.31 9.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.1 ttp -70.97 -44.32 66.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.764 HD11 ' HE2' ' A' ' 507' ' ' LYS . 52.9 mt -67.86 -38.84 83.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -44.55 -48.71 10.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.5 mttm -68.64 -48.72 63.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.955 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.737 HG23 ' CE2' ' A' ' 461' ' ' TYR . 62.6 mt -49.51 -18.29 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -85.85 -57.13 3.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.432 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 21.6 ptp -55.81 -40.02 72.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.482 HD13 ' HB2' ' A' ' 463' ' ' ALA . 35.1 mt -62.09 -39.12 82.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.161 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -57.81 -64.0 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -42.05 -54.98 3.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 520' ' ' ARG . 0.8 OUTLIER -38.65 -40.32 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 73.2 mt -78.47 -57.42 3.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -44.02 -43.3 6.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 77.4 p -90.4 137.73 32.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -77.83 167.4 53.65 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.442 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -24.66 29.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.721 2.28 . . . . 0.0 112.294 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 41.1 p -122.05 129.88 52.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 4.4 m -117.31 170.46 8.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 32.2 m -129.16 167.33 17.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.867 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 88.6 p -135.42 169.36 17.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.83 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 79.79 161.0 22.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 5.3 t -69.37 83.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 3.3 m -60.73 153.1 25.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -60.59 86.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.96 158.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.761 0.315 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 6.1 m -120.46 87.63 41.24 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.742 . . . . 0.0 110.831 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -4.55 14.28 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.2 t -58.32 -67.38 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 152.28 178.53 27.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -83.09 165.73 19.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.954 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -167.79 125.56 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.47 145.98 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 5.2 t -156.08 170.14 22.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -87.03 154.68 20.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 37.0 m -150.49 172.12 15.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 10.7 ptt-85 -107.57 176.94 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 29.2 t -125.61 83.29 62.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.53 5.45 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 426' ' ' HIS . 1.4 p80 -61.33 97.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -62.72 154.54 29.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . 0.651 ' H ' HG22 ' A' ' 506' ' ' THR . . . -157.43 126.28 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 57.18 -174.5 1.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 15.9 m-85 -133.06 99.93 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 64.7 m -132.41 168.64 17.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.463 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.12 140.67 44.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.641 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.6 t80 -109.1 112.31 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.664 HD11 ' CE2' ' A' ' 450' ' ' PHE . 39.2 mt -101.77 136.46 41.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -135.73 118.15 15.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 137.49 -12.43 3.75 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 86.1 mt -39.45 147.01 0.33 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.72 156.59 63.06 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.706 2.27 . . . . 0.0 112.369 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -59.89 -27.33 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -108.38 30.27 6.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.481 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.96 162.76 18.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 445' ' ' HIS . 52.6 mp0 -149.86 158.11 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -43.41 -34.85 1.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 7.7 ptpt -63.24 -43.5 97.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 46.4 m80 -57.54 -46.26 84.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.8 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.516 HG11 HG23 ' A' ' 460' ' ' ILE . 37.1 t -57.78 -33.14 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.134 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -74.93 -51.2 22.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.479 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 6.0 m-20 -51.26 -25.13 5.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 21.5 t80 -76.51 -49.33 16.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.664 ' CE2' HD11 ' A' ' 434' ' ' LEU . 29.4 m-85 -101.18 45.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.479 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 15.2 mmmt -65.93 172.91 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm 56.79 28.27 14.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.458 HD22 ' HB2' ' A' ' 483' ' ' ASP . 22.8 mt -142.51 172.45 12.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.79 109.14 20.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.811 HG23 HG13 ' A' ' 476' ' ' VAL . 63.0 mt -123.68 137.38 57.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.3 t -78.16 96.53 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -37.23 -30.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.466 ' N ' ' O ' ' A' ' 456' ' ' VAL . 19.9 t0 -73.51 -46.32 48.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 456' ' ' VAL . 89.7 p -56.37 -51.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.516 HG23 HG11 ' A' ' 446' ' ' VAL . 3.7 mt -35.58 106.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.54 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.8 t80 -116.92 144.22 44.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 88.3 mt -138.24 132.5 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.432 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.73 129.38 34.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -118.94 125.79 50.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.23 178.57 16.97 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.484 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -20.16 35.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -85.01 24.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 54.94 37.48 62.62 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -130.83 174.78 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.338 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -89.61 122.3 32.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.081 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 9.0 p -59.82 -51.62 68.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 133.82 28.81 0.49 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -142.6 138.83 31.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -143.19 173.48 24.22 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.641 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 38.0 m-85 -148.41 141.08 24.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.934 0.397 . . . . 0.0 110.879 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.811 HG13 HG23 ' A' ' 455' ' ' ILE . 18.4 t -140.46 139.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.088 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -117.54 117.68 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.421 ' CE1' HG12 ' A' ' 455' ' ' ILE . 79.3 m-85 -86.38 124.2 32.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -43.92 -70.71 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . 0.641 ' ND2' ' H ' ' A' ' 480' ' ' ASN . 0.0 OUTLIER -78.76 171.78 14.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 59.6 tt0 -95.05 -31.94 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.16 -35.92 70.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.458 ' HB2' HD22 ' A' ' 453' ' ' LEU . 7.5 p-10 -86.58 -13.08 46.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.7 t80 -75.02 -43.79 51.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.6 mtmt -65.13 -38.97 92.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.23 90.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.115 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.405 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -47.5 -45.91 26.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.058 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -55.6 -44.32 76.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 11.0 t -53.57 -17.23 1.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -91.13 51.77 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.418 ' CE1' ' H ' ' A' ' 502' ' ' VAL . 22.9 t60 -101.22 165.34 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm 61.24 45.44 8.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 85.3 mm-40 -117.36 154.5 31.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.602 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 10.8 m-85 -111.72 132.43 54.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.738 ' HB2' HD13 ' A' ' 500' ' ' ILE . 18.8 tpp -88.08 94.08 9.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 69.42 -82.99 0.27 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.488 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -124.92 -14.75 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 110.839 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -100.8 178.18 4.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.831 ' C ' HD12 ' A' ' 500' ' ' ILE . 15.4 t80 -118.43 137.65 53.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.831 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.7 mp -126.48 140.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -105.22 152.89 22.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.418 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 75.6 t -118.44 130.58 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -146.57 130.65 8.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.613 0.721 . . . . 0.0 110.856 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 140.55 42.8 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.629 2.219 . . . . 0.0 112.343 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 12.5 tt -150.99 138.51 13.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 428' ' ' ALA . 0.9 OUTLIER -67.14 150.75 48.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.418 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 1.0 OUTLIER -51.12 -38.32 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -37.84 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . 0.416 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -79.74 -6.46 89.04 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 31.6 ttp -90.66 -33.87 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.343 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.418 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 29.5 mt -82.13 -35.15 28.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 24.0 pt-20 -49.42 -53.58 21.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.481 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 17.6 mttm -61.06 -51.74 67.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.736 ' HA ' HD12 ' A' ' 517' ' ' ILE . 96.6 mt -44.07 -39.24 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.691 ' N ' HH21 ' A' ' 518' ' ' ARG . 9.2 t0 -65.62 -48.56 71.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.3 mtt -55.14 -36.51 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 514' ' ' ILE . 31.2 mt -64.25 -50.5 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.691 HH21 ' N ' ' A' ' 515' ' ' ASP . 47.4 mtm180 -58.45 -61.46 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -51.68 -37.18 49.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 522' ' ' GLN . 86.3 mt -76.29 -64.09 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 521' ' ' LEU . 38.3 mt-30 -37.27 -49.37 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 2.7 m -58.54 113.09 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 164.42 -91.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.501 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 161.21 46.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.1 t -130.57 -53.46 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 68.5 m -101.85 173.79 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.467 -179.936 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 19.8 m -146.51 149.49 33.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 22.1 p -155.45 140.1 17.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 164.59 166.23 23.17 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.493 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 15.2 m -124.2 114.6 19.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.823 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 80.5 p -89.52 102.47 15.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 160.1 122.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -130.53 -47.93 1.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.749 0.309 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 60.4 p -122.05 131.47 24.41 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.655 0.741 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.3 14.38 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.304 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 10.4 t -129.54 90.62 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 173.13 -51.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -143.72 143.83 31.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.862 0.363 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -154.91 127.68 8.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 22.6 ttm180 50.86 41.99 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 62.1 m -126.78 119.08 26.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 -136.96 163.94 29.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 25.8 t -155.59 130.34 9.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 423' ' ' ARG . 25.4 mtm105 -135.46 167.68 20.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.862 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 9.0 p -150.09 143.82 16.98 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.689 0.757 . . . . 0.0 110.818 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -14.96 36.94 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.691 2.26 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -50.8 128.6 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -73.0 142.42 47.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -171.24 169.4 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.083 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -67.87 -132.21 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.437 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.527 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 22.6 m-85 -143.13 114.4 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 77.3 m -133.42 152.35 51.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -121.5 133.33 68.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.67 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.4 t80 -95.14 124.68 39.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.422 HD22 HG21 ' A' ' 500' ' ' ILE . 35.0 mt -113.71 130.57 56.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.551 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 24.6 mtpt -127.73 117.54 22.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 140.93 -21.13 2.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 436' ' ' GLY . 84.4 mt -34.25 150.01 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.564 0.697 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.77 174.89 8.85 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.393 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -69.73 -46.99 64.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -95.59 32.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.24 149.89 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -138.16 158.9 43.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -44.39 -37.51 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.779 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.5 ptpt -59.42 -41.16 88.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.476 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 71.0 m80 -60.92 -46.7 89.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.29 -39.9 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.779 HD12 ' HA ' ' A' ' 444' ' ' LYS . 35.7 mt -54.55 -48.74 70.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -61.73 -47.36 85.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.693 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 48.8 t80 -39.62 -44.66 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.964 ' HB3' HD12 ' A' ' 453' ' ' LEU . 29.7 m-85 -111.07 50.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 4.1 mtpt -59.49 157.58 11.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.659 ' O ' HD23 ' A' ' 453' ' ' LEU . 17.6 tptt 69.46 26.94 5.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.964 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.1 mt -138.06 166.94 22.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.39 96.31 7.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.892 HG23 HG13 ' A' ' 476' ' ' VAL . 53.5 mt -110.83 118.26 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.71 107.16 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -42.83 -32.38 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -71.08 -54.56 10.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 75.8 p -48.56 -50.28 32.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.8 mt -38.3 110.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.557 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.4 t80 -125.71 129.84 50.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 95.3 mt -124.65 132.61 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.98 130.39 35.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -117.03 146.85 42.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.69 172.49 48.38 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -105.8 33.38 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 52.16 33.57 38.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -125.74 115.07 19.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -50.08 118.41 2.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.075 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 6.6 p -58.23 -29.16 65.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.74 29.88 4.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.521 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -130.42 112.73 13.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.949 0.404 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.34 162.12 18.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.515 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.67 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 44.1 m-85 -141.01 140.13 34.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.887 0.375 . . . . 0.0 110.938 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.892 HG13 HG23 ' A' ' 455' ' ' ILE . 21.7 t -135.91 147.67 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.57 128.98 47.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.459 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 80.4 m-85 -98.19 111.08 23.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 27.4 mtm180 -39.33 -54.23 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -82.53 159.69 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.527 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 15.3 tt0 -92.11 -26.1 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -66.04 -47.13 75.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 40.2 p-10 -70.51 -28.05 64.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.469 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 1.3 t80 -58.38 -47.93 82.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -61.03 -38.99 88.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.36 -46.65 85.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.459 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -43.93 -46.88 8.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -52.08 -43.91 64.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 16.0 t -51.73 -27.13 10.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.552 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.7 mtp180 -87.56 56.7 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -95.27 141.87 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 21.1 mttt 72.43 53.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.471 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 50.5 mm-40 -104.58 158.84 16.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 33.2 m-85 -115.84 130.08 56.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.693 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 16.0 tpp -90.92 83.64 5.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.01 -78.19 0.66 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -124.49 -17.35 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -98.55 172.73 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.6 ' C ' HD12 ' A' ' 500' ' ' ILE . 82.5 t80 -124.19 141.11 52.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.676 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -130.35 148.77 33.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -104.9 143.15 33.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 490' ' ' ARG . 85.1 t -110.02 127.42 66.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -144.56 132.36 10.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.57 0.7 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.77 21.89 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 19.6 tt -143.12 140.58 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 80.7 p -71.46 155.17 40.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.594 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.9 tmtt? -58.75 -46.6 87.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -57.42 -60.22 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.51 -39.44 60.1 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.53 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 42.5 ttp -57.25 -42.14 80.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.594 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 34.6 mt -65.65 -39.9 91.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -42.22 -56.26 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 514' ' ' ILE . 60.6 mttm -60.71 -58.13 9.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.897 ' HA ' HD12 ' A' ' 517' ' ' ILE . 71.0 mt -36.87 -36.61 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -64.05 -52.04 61.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.2 ptt? -62.49 -29.21 70.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.897 HD12 ' HA ' ' A' ' 514' ' ' ILE . 82.0 mt -64.05 -44.35 97.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 519' ' ' LYS . 36.5 mtp85 -68.32 -62.53 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 518' ' ' ARG . 43.7 mtpt -37.24 -50.15 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -52.72 -45.11 66.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 522' ' ' GLN . 76.1 mt -71.59 -53.56 13.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 521' ' ' LEU . 67.1 mm-40 -37.3 124.83 0.99 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 21.7 t -69.2 -53.6 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 175.17 146.1 5.65 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 110.26 2.51 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.1 m 43.12 44.52 4.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 37.5 t -73.56 -51.64 16.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.512 -179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 69.6 m -108.88 155.72 20.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 6.5 t -123.28 86.88 2.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 177.94 82.03 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 18.8 t -75.78 -53.9 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.809 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 46.7 m -78.03 93.5 4.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.822 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -44.29 139.11 4.42 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' A' ' 412' ' ' LYS . 4.1 mptp? -62.1 114.83 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 18.9 m -81.96 137.31 46.76 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.621 0.724 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.85 3.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.379 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.5 t -148.78 155.8 41.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.815 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 121.3 81.0 0.6 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.504 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -137.37 109.22 7.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.814 0.34 . . . . 0.0 110.959 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 140.03 58.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -94.78 33.79 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 3.2 m -96.06 156.63 16.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.31 -38.26 8.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 3.3 t -154.59 122.88 6.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.54 86.46 3.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.843 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 77.5 p -122.71 89.53 50.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.656 0.741 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 132.2 22.81 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -59.39 -68.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -159.73 133.94 7.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -170.34 165.38 8.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -93.66 -149.65 25.57 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.469 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 481' ' ' GLU . 13.2 m-85 -127.23 103.02 7.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 110.91 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.2 m -132.41 170.1 15.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -139.44 133.01 38.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.74 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 4.6 t80 -98.25 113.12 24.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 502' ' ' VAL . 35.5 mt -100.41 138.73 37.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.52 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 18.4 mtpt -136.2 123.85 22.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.419 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 129.93 -11.65 5.91 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.465 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 82.3 mt -40.4 145.45 0.5 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.605 0.717 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.1 Cg_endo -69.78 163.71 37.28 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . 0.788 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 59.8 m-85 -68.34 -26.12 65.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -106.9 26.4 10.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 442' ' ' GLU . . . -60.15 171.01 1.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.117 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.441 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 12.7 mt-10 -163.47 155.04 17.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -39.58 -34.23 0.22 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 27.3 pttt -65.22 -45.05 86.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 48.0 m80 -54.94 -48.54 73.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.453 HG11 ' CG2' ' A' ' 476' ' ' VAL . 41.1 t -58.19 -45.83 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.55 -56.36 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -49.45 -31.37 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.55 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 30.3 t80 -69.5 -41.4 76.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.499 ' CB ' HD11 ' A' ' 455' ' ' ILE . 18.0 m-85 -112.58 48.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 26.7 mmtt -68.05 167.63 13.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.425 ' O ' HD23 ' A' ' 453' ' ' LEU . 8.5 mptt 63.49 32.84 14.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 483' ' ' ASP . 18.2 mt -144.5 -175.09 4.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -117.63 100.01 7.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.697 HG23 HG13 ' A' ' 476' ' ' VAL . 60.8 mt -117.05 132.72 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -73.08 99.86 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 19.1 mm-40 -37.05 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 456' ' ' VAL . 10.2 m-20 -75.26 -49.94 17.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 456' ' ' VAL . 78.4 p -50.76 -45.75 59.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 3.3 mt -42.08 112.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.175 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.608 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.0 t80 -123.11 142.3 51.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 56.2 mt -139.52 127.63 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.097 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.595 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.74 121.62 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -115.9 118.97 34.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.41 167.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.01 36.94 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.666 2.244 . . . . 0.0 112.362 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -92.26 4.62 52.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 81.8 19.92 64.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 19.0 mmtp -115.77 120.71 40.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.757 0.313 . . . . 0.0 110.846 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.788 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -41.0 125.55 2.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.454 ' OG1' ' HB3' ' A' ' 463' ' ' ALA . 28.5 p -66.86 -19.11 65.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 92.42 35.36 6.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -149.07 123.31 9.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -133.01 168.61 22.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.74 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 77.5 m-85 -143.61 143.2 31.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.38 . . . . 0.0 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.697 HG13 HG23 ' A' ' 455' ' ' ILE . 18.1 t -140.56 142.37 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -125.58 121.58 34.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.574 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 84.8 m-85 -89.5 135.09 33.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -54.19 -56.19 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -88.73 174.72 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 2.7 tm-20 -100.42 -38.09 8.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -52.7 -43.37 65.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.082 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.51 ' HB2' HD22 ' A' ' 453' ' ' LEU . 4.8 p-10 -76.28 -28.4 57.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.533 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.2 t80 -63.99 -45.26 89.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -58.1 -34.06 69.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.928 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.71 -36.61 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -47.56 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -52.3 -41.61 63.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.91 -22.59 10.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -94.37 55.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 48.3 t60 -96.34 169.05 10.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.1 OUTLIER 40.77 38.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 49.0 mm-40 -95.41 152.42 18.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -99.57 119.36 37.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.556 ' CB ' HD13 ' A' ' 500' ' ' ILE . 41.9 tpp -79.29 86.63 5.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.861 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.71 -81.29 0.64 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.528 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -126.05 -6.98 6.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 16.2 mmp_? -108.77 174.54 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.741 ' C ' HD12 ' A' ' 500' ' ' ILE . 71.7 t80 -117.29 132.02 56.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.741 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.3 mp -132.81 138.41 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -103.35 146.17 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.457 HG22 ' CD2' ' A' ' 434' ' ' LEU . 85.2 t -110.6 133.47 55.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.3 m-70 -141.14 130.83 12.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.581 0.705 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.72 12.47 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.36 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.74 152.06 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.139 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 41.6 p -83.76 137.09 33.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 1.0 OUTLIER -35.05 -51.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -56.15 -57.75 10.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -55.51 -33.14 58.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 45.4 ttp -60.7 -48.96 79.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.793 0.33 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.547 ' HA ' HD12 ' A' ' 514' ' ' ILE . 26.4 mt -64.26 -42.17 96.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -40.0 -54.68 2.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 515' ' ' ASP . 46.7 mttm -61.36 -54.9 37.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.608 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 85.0 mt -41.61 -26.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.1 t70 -75.43 -52.1 11.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 5.8 ptt? -60.15 -28.83 68.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.595 HD13 ' HB2' ' A' ' 463' ' ' ALA . 37.3 mt -73.01 -49.76 36.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.115 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 519' ' ' LYS . 6.3 mtp-105 -55.17 -59.6 4.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 518' ' ' ARG . 27.0 mmmt -37.94 -55.08 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -41.9 -50.99 4.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 52.0 mt -70.95 -51.84 23.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -56.1 111.85 1.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 81.1 p -117.26 92.74 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.84 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 99.91 88.99 2.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.63 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.358 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 30.8 t -65.55 145.0 56.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 28.0 t -129.52 -58.41 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 74.9 p -167.63 110.28 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.882 0.372 . . . . 0.0 110.878 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 20.6 t -94.66 152.54 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -94.4 168.3 28.08 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.457 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 28.4 t -166.05 118.7 1.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.851 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 94.7 p -167.95 136.7 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -79.54 129.62 9.28 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.01 122.63 14.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 59.7 m -121.32 130.38 24.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 171.3 14.67 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.365 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 38.4 t -129.83 -44.13 1.2 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 80.18 135.5 1.44 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.532 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -147.54 137.14 22.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.861 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.76 123.37 45.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.03 170.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 50.7 p -100.33 155.18 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 421' ' ' ARG . 18.4 mtm105 -92.74 -42.08 9.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.0 t 51.12 53.47 12.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -113.06 -61.69 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.499 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 1.0 OUTLIER -55.75 -60.16 9.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.697 0.76 . . . . 0.0 110.916 -179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.6 Cg_endo -69.85 135.4 30.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.635 2.223 . . . . 0.0 112.368 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -116.91 -44.28 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -113.21 130.26 56.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -166.41 118.3 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.073 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -59.17 177.1 2.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.522 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 20.5 m-85 -112.8 111.48 22.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 90.6 m -128.4 170.45 13.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 476' ' ' VAL . 2.6 m -139.26 133.23 39.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.169 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.643 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.0 t80 -100.04 123.65 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.969 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 500' ' ' ILE . 37.9 mt -111.99 133.78 53.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.504 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.1 mtpm? -130.49 116.43 18.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 136.97 -12.64 3.89 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.452 ' N ' HG13 ' A' ' 500' ' ' ILE . 63.1 mt -39.25 148.93 0.26 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.491 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.4 Cg_endo -69.81 171.81 13.84 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . 0.475 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 56.0 m-85 -69.43 -51.16 39.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.68 29.83 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.848 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.491 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -58.68 166.38 1.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -160.39 164.62 32.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -49.69 -34.39 18.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 13.1 ptpt -63.73 -37.17 86.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.954 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 59.9 m80 -67.05 -44.37 80.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.495 ' CG1' HG21 ' A' ' 476' ' ' VAL . 41.5 t -61.55 -38.7 80.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 40.2 mt -67.69 -41.82 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.17 -34.33 71.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.517 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 34.7 t80 -69.21 -36.64 77.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.615 ' CB ' HD11 ' A' ' 455' ' ' ILE . 25.2 m-85 -116.38 47.0 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -68.0 178.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.77 29.62 6.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.71 HD22 ' HB2' ' A' ' 483' ' ' ASP . 43.5 mt -142.4 178.97 7.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.3 107.07 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.724 HG23 HG13 ' A' ' 476' ' ' VAL . 73.7 mt -124.88 125.48 69.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 456' ' ' VAL . 3.0 t -67.37 98.97 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -39.64 -34.08 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -55.26 10.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 40.5 p -48.2 -49.75 31.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.443 HG23 HG11 ' A' ' 446' ' ' VAL . 3.0 mt -34.63 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.613 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 3.3 t80 -115.7 130.99 57.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 24.7 mt -125.65 130.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.174 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.476 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -83.04 133.35 35.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -128.5 127.11 41.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.924 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -55.87 170.87 2.03 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -19.73 35.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.674 2.249 . . . . 0.0 112.332 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -84.17 12.28 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 70.44 30.5 68.99 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.509 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -126.33 128.23 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 439' ' ' PHE . . . -52.38 114.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 10.7 p -57.26 -24.46 54.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.09 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 103.91 20.26 10.87 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -124.78 130.85 53.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -141.96 166.74 26.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.643 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 26.6 m-85 -144.34 143.37 30.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.907 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.724 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -137.81 135.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -110.25 116.47 31.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.401 ' HE2' HG11 ' A' ' 432' ' ' VAL . 78.0 m-85 -86.84 113.61 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -44.12 -63.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.834 -179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -77.7 166.54 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 38.1 tt0 -98.65 -33.48 10.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -56.12 -37.74 69.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.71 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -77.98 -40.2 39.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.55 -50.24 33.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.955 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -55.52 -44.82 77.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.54 94.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -48.39 -43.3 33.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.137 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.7 mm? -59.55 -28.6 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.2 t -64.27 -14.22 54.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 37.2 mtp180 -96.95 39.54 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.819 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.414 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 52.2 t60 -80.91 159.72 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.414 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 39.4 mtmt 53.36 48.32 22.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 20.5 mm-40 -107.14 160.69 15.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -114.84 131.11 56.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.489 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 22.9 tpp -87.69 82.61 7.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.77 -78.67 0.88 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 13.6 p30 -126.2 -7.44 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -106.97 177.92 4.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.844 ' C ' HD12 ' A' ' 500' ' ' ILE . 75.0 t80 -127.87 135.45 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.09 150.73 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.59 131.62 53.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' A' ' 434' ' ' LEU . 38.1 t -103.39 121.9 55.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -137.51 137.03 21.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 121.17 7.86 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.736 2.291 . . . . 0.0 112.319 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.7 tt -131.24 147.38 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 507' ' ' LYS . 12.7 p -91.09 146.71 23.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 506' ' ' THR . 11.2 tptp -35.72 -54.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -47.2 -39.35 12.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 27.6 ttp -62.95 -49.03 76.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.76 0.314 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 47.3 mt -65.74 -36.57 83.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -48.15 -46.83 34.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 515' ' ' ASP . 28.7 mttm -70.31 -55.86 8.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.904 ' HA ' HD12 ' A' ' 517' ' ' ILE . 92.4 mt -40.1 -26.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LYS . 6.3 t70 -76.32 -58.43 3.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.436 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.7 ptp -53.3 -30.43 38.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 514' ' ' ILE . 32.7 mt -61.99 -50.73 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -60.82 -57.63 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 519' ' ' LYS . 0.0 OUTLIER -37.66 -54.94 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -47.68 -52.31 18.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 76.0 mt -62.97 -44.99 94.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -50.07 106.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 33.7 m -161.21 149.61 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -169.25 -159.24 14.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -35.26 12.84 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.315 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 84.6 p -166.26 123.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.916 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 5.1 t -131.08 109.33 10.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.947 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 53.5 m -59.7 118.81 6.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.89 0.376 . . . . 0.0 110.839 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.6 m -91.57 139.07 31.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -141.34 125.64 2.83 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 2.6 t -155.41 128.71 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 32.0 p -157.21 113.7 2.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 179.8 93.63 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.497 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -94.16 99.5 11.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 40.2 p -52.51 143.61 27.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.696 0.76 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 125.39 12.09 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 3.6 m -102.6 80.62 1.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.93 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -50.52 121.5 10.66 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -95.83 113.02 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 21.7 mtmm -132.7 121.87 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 29.7 ptt180 -160.57 157.12 26.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 79.1 p -139.9 124.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 22.8 mmm-85 -111.72 138.36 48.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 38.5 p -127.64 164.03 22.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -143.52 152.94 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 87.0 p -155.99 143.71 14.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.648 0.737 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.63 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.657 2.238 . . . . 0.0 112.365 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -58.43 161.26 4.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -147.37 121.03 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -122.35 115.56 22.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 38.77 -159.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.562 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 49.5 m-85 -130.89 107.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.832 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 75.7 m -127.56 174.45 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.462 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -142.97 142.39 26.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -105.73 109.73 21.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.586 HD22 HG21 ' A' ' 500' ' ' ILE . 35.7 mt -99.09 120.15 39.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -123.84 111.51 16.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 143.88 -9.09 2.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.455 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 68.6 mt -44.22 150.83 0.59 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.951 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.491 ' O ' ' HB3' ' A' ' 470' ' ' ALA . 54.4 Cg_endo -69.73 -177.18 1.74 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.756 2.304 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.4 -40.44 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -92.86 21.4 5.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -53.98 155.04 3.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -152.32 160.99 43.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -44.47 -34.3 2.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 29.1 pttt -63.84 -43.85 94.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.478 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.9 m80 -58.74 -46.22 87.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.428 ' CG1' ' CG2' ' A' ' 476' ' ' VAL . 95.6 t -58.1 -36.27 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.583 HG22 ' HE2' ' A' ' 451' ' ' LYS . 58.0 mt -70.18 -50.65 45.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.149 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 19.1 t0 -51.73 -28.97 16.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 493' ' ' GLN . 56.1 t80 -71.42 -47.88 53.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.557 ' HE2' HD11 ' A' ' 434' ' ' LEU . 38.6 m-85 -107.48 51.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.583 ' HE2' HG22 ' A' ' 447' ' ' ILE . 0.0 OUTLIER -70.69 170.63 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? 60.39 32.44 20.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 450' ' ' PHE . 19.2 mt -143.49 179.86 6.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -114.81 104.5 12.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.661 ' CG2' HG13 ' A' ' 476' ' ' VAL . 43.7 mt -121.61 138.33 52.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.453 ' O ' ' C ' ' A' ' 457' ' ' GLU . 25.3 t -71.32 93.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 456' ' ' VAL . 68.8 mt-10 -34.33 -38.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.2 -55.28 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 460' ' ' ILE . 93.3 p -45.22 -50.73 11.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 459' ' ' SER . 2.6 mt -34.14 103.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.47 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 6.2 t80 -120.31 135.69 54.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.2 mt -130.47 136.23 58.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.103 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.01 140.78 33.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -127.83 122.15 31.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -59.48 173.01 4.53 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.512 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.99 27.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.343 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -95.86 8.54 43.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 83.5 -18.19 20.54 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.477 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -78.73 158.64 28.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.826 0.346 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -76.15 121.61 23.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 11.0 p -58.95 -37.62 77.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 114.48 28.23 3.08 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -138.86 124.71 19.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.27 173.65 21.57 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.516 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -145.76 144.36 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.661 HG13 ' CG2' ' A' ' 455' ' ' ILE . 12.3 t -137.68 146.11 28.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.149 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -126.72 120.34 29.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.468 ' CD1' HG12 ' A' ' 455' ' ' ILE . 54.9 m-85 -88.71 141.21 28.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 31.7 mtp85 -65.17 -68.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -78.43 178.61 7.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 8.1 tt0 -97.94 -29.44 13.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.98 81.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -82.59 -9.74 59.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.461 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 4.6 t80 -81.22 -49.93 10.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 34.4 mttm -58.79 -42.8 89.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.45 79.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.117 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.29 -45.12 72.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.76 -37.61 79.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -60.98 -10.9 6.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 23.4 mtp85 -96.53 36.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.571 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 70.2 t60 -78.58 156.99 28.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.571 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 30.4 mmtt 59.36 45.5 13.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.952 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 77.4 mm-40 -105.86 160.97 14.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.1 m-85 -119.71 144.1 47.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.5 ' HB2' HD13 ' A' ' 500' ' ' ILE . 8.5 tpp -100.65 83.79 2.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.61 -76.81 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.539 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.59 2.59 5.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.825 0.345 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -114.51 179.79 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.514 ' C ' HD12 ' A' ' 500' ' ' ILE . 64.7 t80 -134.21 136.36 43.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.586 HG21 HD22 ' A' ' 434' ' ' LEU . 2.9 mp -127.17 149.68 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -106.67 131.29 53.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 37.6 t -99.1 120.04 47.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -135.46 125.09 16.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 127.33 14.46 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . 0.414 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 4.1 tt -141.44 140.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 77.7 p -69.43 140.18 54.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.56 -50.23 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.31 -53.02 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.84 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -66.35 -28.36 73.66 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 21.9 ttp -63.76 -40.82 97.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.793 0.33 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.571 ' HA ' HD12 ' A' ' 514' ' ' ILE . 20.6 mt -72.51 -38.39 68.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -48.74 -50.03 35.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.414 ' NZ ' ' CD1' ' A' ' 505' ' ' ILE . 4.4 mtmp? -64.34 -51.69 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.689 ' HA ' HD12 ' A' ' 517' ' ' ILE . 67.2 mt -46.81 -44.86 7.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.093 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -56.44 -43.39 79.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 1.3 mtm -64.95 -50.58 65.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.689 HD12 ' HA ' ' A' ' 514' ' ' ILE . 34.6 mt -46.5 -38.47 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.144 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 519' ' ' LYS . 52.1 mtp180 -67.17 -63.19 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 518' ' ' ARG . 2.1 mmmp? -35.72 -55.31 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -42.93 -50.23 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.834 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.58 -52.29 27.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -45.61 130.28 8.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 39.3 m -122.26 101.04 7.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -173.53 -172.58 39.09 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 172.16 13.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.628 2.219 . . . . 0.0 112.322 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 83.4 p -103.12 130.73 50.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.822 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.2 t -90.77 92.71 8.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 30.7 t -110.32 111.07 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 8.5 t -62.11 -55.18 31.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 118.29 -148.29 18.52 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 1.6 t -64.9 144.29 57.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 29.5 t -120.03 115.05 22.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 113.09 78.61 0.87 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -151.56 144.19 24.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 63.8 m -109.36 140.24 21.86 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.657 0.741 . . . . 0.0 110.827 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.71 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.685 2.257 . . . . 0.0 112.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 52.1 m -130.98 -50.77 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 102.72 72.92 0.95 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.04 164.98 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -106.61 130.93 54.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -134.14 146.4 50.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 26.8 p -107.05 159.47 16.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 3.4 ptp85 -175.06 157.06 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 4.8 t 65.2 36.48 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -23.86 66.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 2.3 m -173.67 133.71 0.61 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 142.71 48.52 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.348 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -120.12 166.59 13.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -111.67 107.46 16.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -172.03 161.78 5.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.108 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -65.84 -139.16 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.463 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 33.4 m-85 -139.79 106.51 5.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.352 . . . . 0.0 110.924 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.4 m -130.9 164.78 24.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.451 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -134.18 135.98 53.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.771 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 11.1 t80 -100.08 118.56 36.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.508 HD21 ' CE2' ' A' ' 449' ' ' PHE . 35.5 mt -107.3 133.4 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -131.18 117.12 18.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 141.4 -21.33 2.58 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 436' ' ' GLY . 55.4 mt -34.22 149.72 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.581 0.705 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.66 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.8 Cg_endo -69.73 170.96 15.33 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.645 2.23 . . . . 0.0 112.351 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -68.2 -39.51 82.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -100.74 31.87 3.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.916 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.66 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -65.91 155.03 37.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -142.42 156.93 45.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -41.09 -40.24 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.59 ' HA ' HD12 ' A' ' 447' ' ' ILE . 15.7 ptpt -56.89 -44.67 82.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 71.6 m80 -55.88 -48.23 75.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.833 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 476' ' ' VAL . 40.6 t -59.34 -41.23 83.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.59 HD12 ' HA ' ' A' ' 444' ' ' LYS . 94.7 mt -54.16 -52.23 39.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -56.47 -48.98 75.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.609 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 40.3 t80 -39.23 -46.52 1.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.861 ' HB3' HD12 ' A' ' 453' ' ' LEU . 38.2 m-85 -111.5 51.16 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -57.15 160.42 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.751 ' O ' HD23 ' A' ' 453' ' ' LEU . 9.1 tptm 64.15 36.26 9.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.864 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.861 HD12 ' HB3' ' A' ' 450' ' ' PHE . 25.3 mt -149.41 163.08 38.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -94.31 102.18 14.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 37.5 mt -113.76 112.96 42.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 458' ' ' ASP . 11.7 t -59.78 93.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.138 179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 456' ' ' VAL . 42.5 mt-10 -37.21 -30.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 456' ' ' VAL . 2.5 t0 -74.17 -57.35 4.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . . . . . . . . . 27.5 p -48.51 -32.7 8.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . . . . . . . . . 9.9 mt -51.71 116.39 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.509 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -128.42 136.9 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -133.88 137.38 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.35 138.92 34.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -130.52 119.27 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 469' ' ' LYS . . . -52.6 178.14 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.86 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.698 2.265 . . . . 0.0 112.324 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.91 -37.29 13.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 124.19 33.98 0.75 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 465' ' ' GLY . 68.3 mttt -128.62 171.17 12.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -88.36 117.47 27.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.405 HG23 ' H ' ' A' ' 471' ' ' THR . 7.3 p -56.03 -35.64 67.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 116.86 25.24 3.39 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -131.18 120.14 22.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -125.72 169.06 17.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.771 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 53.5 m-85 -144.92 139.47 27.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.886 0.374 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 19.1 t -137.0 155.08 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.457 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 23.2 tt0 -132.42 116.47 16.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.529 ' CE2' ' CB ' ' A' ' 487' ' ' ALA . 75.4 m-85 -87.02 106.94 18.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 478' ' ' PHE . 19.8 mmt180 -36.78 -64.77 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -77.31 169.94 17.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 37.1 tt0 -98.15 -40.39 8.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.907 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -51.61 -39.99 59.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -78.28 -34.24 48.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -52.8 -41.97 64.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -61.44 -48.47 81.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -50.1 -42.16 49.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.529 ' CB ' ' CE2' ' A' ' 478' ' ' PHE . . . -50.4 -46.92 56.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 504' ' ' PRO . 3.8 mm? -58.84 -43.35 90.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 2.0 m -56.98 -12.66 2.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 20.5 mtp85 -97.97 46.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -84.87 150.02 25.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp 64.6 50.21 2.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -103.57 155.1 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 15.0 m-85 -116.71 133.49 55.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.609 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 12.8 tpp -91.16 81.68 5.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.901 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.74 -74.22 0.61 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -124.4 -21.1 5.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -94.0 175.17 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.569 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 53.6 t80 -132.49 130.34 40.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.545 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.9 mp -118.92 153.92 21.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . 0.431 ' N ' HG22 ' A' ' 500' ' ' ILE . 42.4 mt-30 -108.83 138.99 44.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 84.4 t -104.3 123.48 58.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -144.81 123.27 6.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.55 0.691 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.72 135.6 30.98 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.366 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . 0.422 HD11 ' C ' ' A' ' 509' ' ' GLY . 17.5 tt -140.12 149.23 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 507' ' ' LYS . 47.7 p -74.02 138.36 44.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.638 ' NZ ' HD11 ' A' ' 511' ' ' LEU . 8.3 tmtt? -37.09 -45.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -64.08 -52.74 57.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . 0.422 ' C ' HD11 ' A' ' 505' ' ' ILE . . . -54.6 -33.0 54.13 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . 0.579 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 37.9 ttp -69.35 -39.25 78.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.638 HD11 ' NZ ' ' A' ' 507' ' ' LYS . 24.8 mt -68.84 -42.76 76.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -41.63 -45.5 3.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 515' ' ' ASP . 43.0 mttp -73.48 -54.51 8.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.509 HG23 ' CZ ' ' A' ' 461' ' ' TYR . 88.9 mt -42.91 -23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 513' ' ' LYS . 2.7 t70 -81.79 -62.95 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.467 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 20.7 ptp -49.37 -41.77 40.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.558 HD13 ' HB2' ' A' ' 463' ' ' ALA . 75.4 mt -56.46 -51.14 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.416 ' CD ' ' O ' ' A' ' 514' ' ' ILE . 50.1 mtp180 -58.42 -53.86 53.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -41.43 -50.62 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 47.6 mtp85 -50.72 -42.63 57.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 84.6 mt -76.84 -60.57 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -44.65 125.79 5.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 54.3 p 39.33 36.33 0.2 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -91.46 -158.06 34.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -12.72 33.54 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 91.9 p -93.04 134.86 34.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 7.7 t -79.48 120.5 23.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 68.0 m -124.27 160.32 28.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 0.0 110.827 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 65.1 p -161.0 179.98 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.875 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -78.46 54.29 4.0 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 9.6 t -91.85 160.15 15.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.905 0.383 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 8.0 t -132.86 154.38 50.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -42.71 152.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -131.55 154.61 48.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 38.2 m -105.93 143.95 27.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.91 36.81 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.689 2.259 . . . . 0.0 112.326 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 35.4 t -137.15 148.94 46.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -134.57 -159.48 8.8 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.469 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -77.42 119.92 21.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.907 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -87.95 126.78 35.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -106.57 164.81 11.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 45.7 t -44.67 115.19 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -104.11 99.79 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.0 t -59.45 129.9 44.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 4.5 ptp180 -154.64 170.36 21.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 4.6 t -98.01 147.67 33.4 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.703 0.763 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 -5.85 17.15 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.257 . . . . 0.0 112.387 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -158.46 116.8 3.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.843 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -86.83 136.75 32.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . 0.718 ' HB3' ' HB ' ' A' ' 506' ' ' THR . . . -107.8 92.05 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 58.81 175.94 0.69 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.44 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.496 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 33.5 m-85 -118.54 103.87 10.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 74.5 m -133.9 153.9 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.28 136.57 60.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.792 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 10.5 t80 -100.84 123.99 45.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.525 HD11 ' HE2' ' A' ' 450' ' ' PHE . 35.2 mt -113.04 128.14 56.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -126.5 123.61 38.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 129.05 -8.39 6.35 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.476 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.466 HD23 HG12 ' A' ' 500' ' ' ILE . 81.0 mt -42.5 154.82 0.27 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.603 0.716 . . . . 0.0 110.93 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.503 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.2 Cg_endo -69.71 171.39 14.5 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.329 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -68.55 -51.2 45.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -90.06 27.52 1.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.503 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -50.7 151.44 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -143.04 151.15 40.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -39.03 -36.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.468 ' HA ' HD12 ' A' ' 447' ' ' ILE . 18.1 ptpt -59.33 -46.13 89.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.467 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 73.6 m80 -56.09 -47.59 77.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 75.5 t -61.13 -41.37 89.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 444' ' ' LYS . 60.7 mt -60.56 -54.14 39.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -54.58 -49.66 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 493' ' ' GLN . 44.9 t80 -40.67 -41.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.911 ' HB3' HD12 ' A' ' 453' ' ' LEU . 37.4 m-85 -116.67 56.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -65.2 157.94 27.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.621 ' O ' HD23 ' A' ' 453' ' ' LEU . 26.4 tttm 70.01 31.37 3.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.911 HD12 ' HB3' ' A' ' 450' ' ' PHE . 43.3 mt -141.83 158.98 43.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.91 104.7 16.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 476' ' ' VAL . 67.7 mt -118.28 133.75 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.2 t -75.86 104.08 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -40.54 -28.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -75.3 -54.39 7.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 460' ' ' ILE . 63.8 p -46.19 -52.04 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 -179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 459' ' ' SER . 1.9 mt -37.41 106.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.569 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.8 t80 -123.11 126.43 47.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 89.1 mt -120.95 131.47 72.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.656 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -85.48 135.3 33.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -117.89 143.48 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -77.6 168.72 54.49 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.518 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -9.87 27.19 Favored 'Trans proline' 0 C--O 1.23 0.119 0 C-N-CA 122.674 2.249 . . . . 0.0 112.365 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -103.75 17.33 24.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.66 -26.92 3.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -71.68 134.49 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -61.66 122.63 15.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.42 HG23 ' H ' ' A' ' 471' ' ' THR . 6.9 p -52.17 -26.06 10.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.168 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 99.03 26.24 9.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.498 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -128.61 130.94 48.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.876 0.37 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -135.43 162.64 24.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.533 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.792 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 43.0 m-85 -143.21 138.5 29.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.894 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.794 HG13 HG23 ' A' ' 455' ' ' ILE . 16.5 t -136.86 151.93 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . 0.408 ' N ' ' CG1' ' A' ' 476' ' ' VAL . 24.1 tt0 -132.16 116.52 17.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.511 ' CE1' HG12 ' A' ' 455' ' ' ILE . 82.2 m-85 -86.81 122.24 30.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -47.49 -56.63 6.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -87.23 168.07 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 430' ' ' PHE . 29.3 tt0 -94.15 -45.7 7.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -44.6 -43.92 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 484' ' ' TYR . 3.5 p-10 -76.18 -33.65 59.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.819 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.496 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.5 t80 -56.71 -47.56 79.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -59.61 -41.89 91.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.0 -49.07 72.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -40.41 -49.09 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 488' ' ' LEU . 2.9 mm? -50.6 -40.49 52.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 18.9 t -55.63 -25.62 40.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.425 ' O ' HG21 ' A' ' 502' ' ' VAL . 22.8 mtp85 -89.46 54.99 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 492' ' ' LYS . 14.0 t60 -93.26 150.79 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.577 ' HG2' ' CD2' ' A' ' 491' ' ' HIS . 17.1 mmtp 64.37 48.07 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 73.3 mm-40 -102.98 158.81 16.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 12.0 m-85 -115.28 131.26 56.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.729 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.1 tpp -88.91 83.25 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.94 -78.28 0.92 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.61 -6.74 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 55.7 mmt-85 -105.97 177.03 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.583 ' C ' HD12 ' A' ' 500' ' ' ILE . 56.4 t80 -129.01 129.77 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.729 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.0 mp -121.58 148.85 24.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -104.7 142.15 35.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 490' ' ' ARG . 99.5 t -108.52 127.85 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -145.07 131.94 10.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.6 35.75 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -150.37 155.21 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . 0.718 ' HB ' ' HB3' ' A' ' 428' ' ' ALA . 66.9 p -89.2 150.59 22.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -48.68 -48.92 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 24.0 ttmt -53.61 -59.44 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -60.73 -29.48 70.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 47.1 ttp -61.89 -38.47 88.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.837 0.351 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.489 ' HA ' HD12 ' A' ' 514' ' ' ILE . 17.7 mt -77.5 -39.93 44.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -38.91 -44.43 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 516' ' ' MET . 60.5 mttm -69.99 -58.94 3.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.755 ' HA ' HD12 ' A' ' 517' ' ' ILE . 83.9 mt -36.91 -30.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.5 t0 -68.41 -47.98 65.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.1 ptp -66.16 -27.25 67.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 514' ' ' ILE . 25.6 mt -74.05 -39.6 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 61.9 mtt-85 -54.55 -55.68 26.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -50.26 -44.67 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -51.43 -22.75 3.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 69.6 mt -103.56 -43.34 5.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -88.42 34.94 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.3 t -81.16 98.13 7.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.815 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 177.74 146.33 6.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 124.09 10.73 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.715 2.276 . . . . 0.0 112.337 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 27.7 t -129.45 -47.88 1.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.7 m -84.22 145.07 28.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 92.3 p -77.75 129.85 36.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 19.3 m 50.94 41.56 27.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -105.92 128.73 9.48 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 36.0 p -130.84 170.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 0.0 110.898 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 5.0 m -149.87 162.96 39.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.5 73.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -59.84 165.35 3.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.772 0.32 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 82.6 p -159.8 139.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.666 0.746 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 114.78 3.82 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.684 2.256 . . . . 0.0 112.37 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 82.4 p -135.86 138.21 42.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 146.05 104.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.22 42.52 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.856 0.36 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -89.02 132.62 34.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 420' ' ' SER . 83.9 mtm180 -142.84 123.43 14.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 419' ' ' ARG . 57.7 m -35.27 -54.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 421' ' ' ARG . 17.7 ttp-105 -93.18 101.6 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 14.5 t -103.58 -48.56 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 38.3 mtt180 -160.29 123.41 3.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 3.4 m -82.97 144.78 48.28 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.888 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 155.7 65.37 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.73 2.286 . . . . 0.0 112.382 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -81.07 -48.88 11.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -159.52 116.23 2.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -165.21 143.3 6.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . 0.53 ' O ' ' CD1' ' A' ' 430' ' ' PHE . . . -69.89 -124.67 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.465 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 481' ' ' GLU . 27.5 m-85 -145.82 110.54 5.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.794 0.331 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 9.4 m -131.78 165.74 23.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -136.81 128.39 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.085 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.601 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 5.1 t80 -96.88 118.67 33.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 502' ' ' VAL . 36.7 mt -106.44 136.43 46.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.534 ' HD2' ' CE2' ' A' ' 433' ' ' TYR . 16.3 mtpt -133.9 113.17 11.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 142.95 -16.28 2.37 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 436' ' ' GLY . 85.9 mt -36.67 147.55 0.2 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.628 0.727 . . . . 0.0 110.927 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.512 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.2 Cg_endo -69.82 155.04 66.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.345 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 470' ' ' ALA . 97.7 m-85 -62.68 -15.87 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -116.76 22.59 12.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.512 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -59.67 -177.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 441' ' ' ALA . 10.8 mt-10 -166.57 171.78 11.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -60.82 -27.31 67.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 447' ' ' ILE . 4.3 pttp -75.9 -37.2 59.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -59.36 -48.41 81.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.79 -40.73 86.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 444' ' ' LYS . 82.8 mt -55.76 -52.84 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.102 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -56.65 -45.93 81.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.469 ' HB2' ' CE ' ' A' ' 495' ' ' MET . 24.1 t80 -41.56 -45.23 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.69 ' HB3' HD12 ' A' ' 453' ' ' LEU . 41.4 m-85 -113.24 52.17 0.81 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -58.5 168.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp 55.21 40.8 31.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.69 HD12 ' HB3' ' A' ' 450' ' ' PHE . 42.8 mt -150.76 164.73 35.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -99.33 107.8 20.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.819 HG23 HG13 ' A' ' 476' ' ' VAL . 77.4 mt -120.55 124.04 71.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.456 HG12 ' H ' ' A' ' 459' ' ' SER . 63.2 t -63.01 97.05 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 456' ' ' VAL . 49.1 mt-10 -37.47 -36.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -68.49 -47.91 65.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.456 ' H ' HG12 ' A' ' 456' ' ' VAL . 82.1 p -53.3 -52.95 57.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.2 mt -34.83 102.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.455 ' CE2' HG23 ' A' ' 514' ' ' ILE . 6.3 t80 -122.79 140.78 52.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.417 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 64.3 mt -135.74 134.42 51.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.767 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.01 117.59 22.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -102.88 137.17 41.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.93 171.43 48.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -11.16 30.27 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.665 2.244 . . . . 0.0 112.355 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -97.95 14.45 27.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 82.85 -24.63 5.08 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.474 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -71.13 172.4 9.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.771 0.32 . . . . 0.0 110.958 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 439' ' ' PHE . . . -91.4 133.0 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 15.7 p -69.23 -32.81 72.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 107.35 42.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.486 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -152.12 118.82 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -130.64 167.57 22.07 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.601 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 20.4 m-85 -143.23 143.52 31.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.819 HG13 HG23 ' A' ' 455' ' ' ILE . 21.9 t -140.02 142.97 30.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -120.02 121.72 39.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 487' ' ' ALA . 92.2 m-85 -90.68 120.49 31.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.882 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -48.62 -65.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -74.26 171.7 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 430' ' ' PHE . 28.4 tt0 -97.83 -39.84 8.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -53.14 -41.47 65.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 24.2 p-10 -75.48 -33.63 60.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.524 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 2.3 t80 -55.44 -44.14 76.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -64.96 -41.77 95.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.1 72.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 478' ' ' PHE . . . -48.29 -52.6 20.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.434 ' H ' HD22 ' A' ' 488' ' ' LEU . 2.9 mm? -52.16 -37.26 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 19.3 t -53.38 -21.22 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -97.09 57.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 492' ' ' LYS . 21.9 t60 -96.56 151.93 19.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.42 ' HG3' ' NE2' ' A' ' 491' ' ' HIS . 26.8 mttt 62.55 46.15 5.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -103.66 166.58 10.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.49 ' CE1' ' CD1' ' A' ' 499' ' ' PHE . 15.6 m-85 -122.61 131.75 53.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 449' ' ' PHE . 14.3 tpp -92.48 88.71 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 74.34 -81.78 0.81 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.548 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -128.63 -4.58 5.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -107.41 169.52 8.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.785 ' C ' HD12 ' A' ' 500' ' ' ILE . 34.7 t80 -115.27 134.24 55.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.785 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -126.67 135.45 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -98.39 132.34 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 434' ' ' LEU . 53.0 t -102.78 121.98 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.106 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 71.3 m-70 -138.49 135.23 17.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.586 0.708 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 129.2 17.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . 0.439 ' CD1' ' NZ ' ' A' ' 513' ' ' LYS . 16.3 tt -134.09 151.15 31.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 1.5 p -83.21 157.99 22.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.582 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.0 OUTLIER -57.81 -45.89 85.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 509' ' ' GLY . 0.0 OUTLIER -65.22 -51.71 59.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.913 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 508' ' ' LYS . . . -60.74 -32.07 77.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.51 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.4 ttp -69.97 -45.89 66.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 514' ' ' ILE . 76.8 mt -60.8 -44.0 97.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -42.15 -49.75 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.447 ' HA ' ' CG ' ' A' ' 516' ' ' MET . 45.9 mtmt -63.71 -47.4 81.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.593 HD12 HD23 ' A' ' 511' ' ' LEU . 84.7 mt -51.34 -20.35 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -87.98 -62.77 1.42 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.447 ' CG ' ' HA ' ' A' ' 513' ' ' LYS . 0.0 OUTLIER -50.54 -35.75 31.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.767 HD13 ' HB2' ' A' ' 463' ' ' ALA . 80.8 mt -56.91 -53.61 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 521' ' ' LEU . 23.1 mtp180 -57.91 -60.4 3.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 32.0 mtpt -37.34 -42.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -63.91 -41.65 97.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 518' ' ' ARG . 42.0 mt -71.28 -62.52 1.37 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -46.28 144.58 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 37.7 m -128.01 87.71 2.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -175.66 90.68 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 149.96 67.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.271 . . . . 0.0 112.32 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 12.8 t -112.64 -48.73 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 1.6 t -67.87 97.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.45 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 60.6 m 50.04 42.17 24.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.918 0.389 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 17.4 m -85.73 171.75 11.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -109.82 146.08 17.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.506 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.2 m -95.42 127.85 41.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.805 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.1 t -92.69 -51.41 5.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 104.25 -122.05 7.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 9.0 mtmp? -159.98 141.14 12.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 3.6 m -151.34 143.72 16.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.697 0.761 . . . . 0.0 110.852 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 132.33 23.0 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.25 . . . . 0.0 112.347 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 23.8 m -149.4 151.12 33.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.83 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 125.31 53.27 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.475 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -111.3 133.08 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.88 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 30.6 mttm -90.67 119.03 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -148.07 132.8 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 59.8 m -118.27 127.81 54.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -119.81 144.46 47.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.816 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 49.1 m -117.16 84.19 2.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.82 95.27 8.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 6.2 t -160.34 125.53 2.22 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.656 0.741 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.26 18.96 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.708 2.272 . . . . 0.0 112.339 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -48.41 153.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -84.44 132.12 34.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -134.51 142.21 46.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -71.12 -162.78 4.98 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.529 ' HB3' ' CG ' ' A' ' 484' ' ' TYR . 13.9 m-85 -123.27 109.96 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.837 0.351 . . . . 0.0 110.889 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 73.3 m -134.55 160.51 37.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.5 m -125.93 142.37 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.085 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 1.7 t80 -107.1 116.95 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.568 HD22 HG21 ' A' ' 500' ' ' ILE . 35.2 mt -106.67 131.59 53.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 4.4 mtpm? -127.83 137.63 52.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.945 179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 113.04 -12.6 24.35 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.465 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 436' ' ' GLY . 59.9 mt -35.25 152.58 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.417 ' HD2' ' HB2' ' A' ' 441' ' ' ALA . 53.1 Cg_endo -69.75 156.31 63.71 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.302 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -59.45 -24.41 63.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -113.47 30.48 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.417 ' HB2' ' HD2' ' A' ' 438' ' ' PRO . . . -59.47 151.72 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -144.87 161.0 40.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -48.32 -23.9 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -72.74 -42.22 64.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -61.84 -45.93 91.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.476 HG11 ' CG2' ' A' ' 476' ' ' VAL . 99.2 t -59.5 -40.26 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.137 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 69.0 mt -63.51 -50.01 80.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.107 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.408 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 3.5 t0 -58.08 -27.24 63.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.633 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 24.7 t80 -65.77 -45.1 83.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.675 ' HB3' HD12 ' A' ' 453' ' ' LEU . 48.4 m-85 -113.94 51.92 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 12.4 mttm -60.73 175.7 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt 54.83 29.38 11.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 450' ' ' PHE . 46.3 mt -140.14 166.88 23.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.95 98.04 7.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.77 HG23 HG13 ' A' ' 476' ' ' VAL . 62.4 mt -109.21 144.34 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 459' ' ' SER . 3.5 t -87.87 96.59 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -40.68 -31.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.38 -42.17 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 456' ' ' VAL . 52.5 p -66.24 -34.72 78.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.445 HG12 HG22 ' A' ' 476' ' ' VAL . 17.5 mt -50.7 115.05 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.668 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 8.8 t80 -127.17 138.0 53.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.425 HD11 ' CG2' ' A' ' 446' ' ' VAL . 60.4 mt -132.45 142.02 43.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -85.07 127.44 34.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.06 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -119.95 125.68 49.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -63.33 174.78 9.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.439 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -19.09 36.68 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.367 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -85.08 11.73 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.26 -9.28 41.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.507 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -88.1 166.44 14.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.882 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -81.24 140.25 35.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 14.5 p -79.37 -21.52 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 102.86 36.98 3.3 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -145.86 140.96 27.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -148.06 165.17 28.94 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -144.41 144.54 31.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.871 0.367 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.77 HG13 HG23 ' A' ' 455' ' ' ILE . 19.0 t -141.51 149.43 20.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.147 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -126.67 118.23 24.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.485 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 86.9 m-85 -87.04 126.97 35.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -51.3 -73.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -62.36 -174.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.427 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 53.6 tt0 -111.55 -24.54 10.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -72.2 -35.92 69.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.667 ' HB2' HD22 ' A' ' 453' ' ' LEU . 38.6 p-10 -74.62 -18.46 60.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.529 ' CG ' ' HB3' ' A' ' 430' ' ' PHE . 3.8 t80 -73.18 -53.93 9.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -52.22 -41.55 62.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -62.04 -36.24 80.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.088 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.485 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -51.2 -44.35 61.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 488' ' ' LEU . 3.5 mm? -63.77 -31.11 72.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.937 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 42.6 t -65.25 -14.81 61.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 449' ' ' PHE . 28.5 mtp180 -97.93 61.45 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.591 ' CD2' ' HD3' ' A' ' 492' ' ' LYS . 8.9 t60 -104.46 161.13 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.591 ' HD3' ' CD2' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 63.04 40.54 9.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -106.61 155.08 20.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.488 ' CZ ' ' CD1' ' A' ' 499' ' ' PHE . 15.4 m-85 -113.21 118.2 34.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.633 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 25.9 tpp -68.46 85.75 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.77 -78.3 0.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.513 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . 0.449 ' CG ' ' O ' ' A' ' 497' ' ' ASN . 13.9 t-20 -130.89 8.47 4.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.893 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -122.08 168.36 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.836 ' C ' HD12 ' A' ' 500' ' ' ILE . 50.8 t80 -111.25 133.81 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.836 HD12 ' C ' ' A' ' 499' ' ' PHE . 1.8 mp -128.38 147.64 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.155 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -105.7 140.61 38.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.542 ' H ' ' CE1' ' A' ' 491' ' ' HIS . 25.3 t -109.22 118.59 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 37.1 m-70 -136.29 127.77 16.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.536 0.684 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . 0.438 ' HB3' HD11 ' A' ' 488' ' ' LEU . 54.3 Cg_endo -69.74 132.03 22.5 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 9.7 tt -142.03 133.42 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 5.9 p -68.18 147.4 52.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.423 ' HE3' HD11 ' A' ' 511' ' ' LEU . 3.1 tmtm? -43.94 -30.85 0.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -61.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -57.09 -36.26 73.62 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 39.1 ttp -57.96 -41.53 83.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.759 0.314 . . . . 0.0 110.863 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.423 HD11 ' HE3' ' A' ' 507' ' ' LYS . 50.8 mt -72.58 -41.22 65.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -41.32 -47.27 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 515' ' ' ASP . 36.6 mttm -70.91 -56.58 5.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.81 ' HA ' HD12 ' A' ' 517' ' ' ILE . 97.0 mt -43.0 -23.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' LYS . 5.2 t70 -77.82 -51.57 10.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.447 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 6.3 ptp -61.37 -32.33 72.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.9 mt -65.11 -32.0 56.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.097 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.476 ' O ' ' NE2' ' A' ' 522' ' ' GLN . 40.5 mtt180 -80.94 -32.65 34.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -69.84 -45.18 68.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -57.27 -38.1 73.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 67.4 mt -63.36 -49.06 75.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 518' ' ' ARG . 0.0 OUTLIER -46.99 131.76 12.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 6.9 t -135.51 130.36 34.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 129.33 148.03 6.47 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.455 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -6.78 19.43 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 527' ' ' SER . 72.1 m -121.93 132.97 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 526' ' ' SER . 32.8 t -36.79 110.03 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.552 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 25.8 p -129.13 159.32 36.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 3.9 m -101.08 120.93 40.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . 150.78 99.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 60.1 m -109.89 175.18 5.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 74.6 m -86.02 155.76 20.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -166.73 44.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 11.6 tmtt? -162.19 123.15 2.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.782 0.325 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 74.5 p -115.96 142.15 28.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.647 0.737 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 415' ' ' SER . 53.8 Cg_endo -69.76 0.23 5.95 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.645 2.23 . . . . 0.0 112.376 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 414' ' ' PRO . 1.1 t -34.67 113.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 78.47 77.48 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.499 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -120.67 39.33 3.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.5 pttm -130.22 128.71 42.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -146.52 133.15 19.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 6.0 m -62.53 138.4 58.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 421' ' ' ARG . 3.3 tmt_? -135.14 116.0 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 96.7 p -123.22 -43.51 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -50.77 125.78 14.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 49.6 m -141.2 139.68 19.59 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.688 0.756 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 179.77 3.45 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.651 2.234 . . . . 0.0 112.383 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -71.08 -57.75 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -161.97 140.16 9.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -135.36 176.22 8.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -91.23 -129.25 4.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.571 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 70.6 m-85 -133.59 107.31 7.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 65.1 m -131.72 164.87 25.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.439 HG23 ' HB ' ' A' ' 476' ' ' VAL . 2.4 m -135.33 143.74 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.155 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.675 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 8.8 t80 -110.81 109.19 19.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 450' ' ' PHE . 35.7 mt -97.32 125.69 42.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.938 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.483 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 50.0 mtmt -126.57 128.58 47.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.426 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 123.79 -10.65 8.43 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.447 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 84.3 mt -40.46 148.94 0.33 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.634 0.73 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.653 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 53.3 Cg_endo -69.81 164.28 35.18 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -68.44 -28.91 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -104.75 24.14 12.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.653 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -61.26 169.17 2.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.104 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 445' ' ' HIS . 24.5 mt-10 -161.59 157.51 24.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -38.38 -38.19 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 16.6 ptpt -59.25 -46.15 89.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.471 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 63.8 m80 -57.36 -46.99 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 79.6 t -59.97 -37.69 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 55.4 mt -71.37 -44.39 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.468 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.0 t70 -59.92 -23.11 63.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.584 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 4.1 t80 -74.01 -52.33 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 455' ' ' ILE . 32.1 m-85 -102.47 50.28 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.468 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 4.3 mmmm -66.4 168.7 8.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 61.6 mttt 61.47 38.51 15.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.494 HD12 ' HB3' ' A' ' 450' ' ' PHE . 16.2 mt -149.17 -175.8 5.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.76 102.18 9.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.756 HG23 HG13 ' A' ' 476' ' ' VAL . 65.1 mt -116.9 130.38 71.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.6 t -73.11 98.46 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 456' ' ' VAL . 1.0 OUTLIER -36.49 -30.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 9.4 t70 -74.9 -49.06 21.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 456' ' ' VAL . 82.0 p -50.53 -51.05 51.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 -179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 459' ' ' SER . 3.9 mt -35.83 116.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.506 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.2 t80 -128.17 134.26 49.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 76.4 mt -131.55 134.03 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -84.47 131.53 34.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -122.26 118.16 27.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -50.94 177.79 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.462 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -48.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.348 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -37.1 40.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 121.43 39.68 0.57 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm -134.98 163.62 29.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -76.77 118.9 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 30.7 p -64.18 -47.15 80.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 127.57 35.62 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.478 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -139.95 113.08 8.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.877 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -124.29 161.5 18.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.675 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 61.8 m-85 -141.78 143.05 33.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.756 HG13 HG23 ' A' ' 455' ' ' ILE . 18.7 t -142.92 144.27 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -120.85 125.08 46.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.457 ' CE1' ' CG1' ' A' ' 455' ' ' ILE . 73.9 m-85 -95.23 108.5 20.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -41.53 -61.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -79.92 174.29 11.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.55 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 50.4 tt0 -100.01 -51.83 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -41.59 -38.94 1.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.448 ' HB2' HD22 ' A' ' 453' ' ' LEU . 6.9 p-10 -77.53 -40.44 42.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.571 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 2.1 t80 -51.09 -45.84 61.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -56.29 -61.67 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.955 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -43.87 -35.37 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 484' ' ' TYR . . . -59.21 -46.55 88.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.2 mm? -60.22 -36.49 77.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.83 -15.23 7.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 490' ' ' ARG . 9.4 mtp-105 -98.75 49.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.541 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 69.1 t60 -85.97 167.39 15.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.541 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 16.1 pttp 42.4 39.94 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.416 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 21.9 mm-40 -96.42 153.26 17.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.522 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 54.3 m-85 -100.45 135.64 41.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.584 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 48.1 tpp -92.01 79.44 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 72.77 -79.3 0.71 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -121.98 -13.25 8.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 56.7 mmt-85 -102.73 174.08 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.522 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 21.9 t80 -121.36 121.45 37.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.544 HD13 ' CB ' ' A' ' 495' ' ' MET . 2.3 mp -123.29 140.97 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.077 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -105.04 142.18 35.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 79.6 t -105.96 121.64 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -134.0 124.02 17.3 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.58 0.705 . . . . 0.0 110.912 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.8 Cg_endo -69.73 124.86 11.51 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.729 2.286 . . . . 0.0 112.39 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.6 tt -134.59 137.72 50.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 24.4 p -68.77 148.94 49.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -38.77 -53.8 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.98 -47.18 65.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . 0.422 ' HA2' ' CD ' ' A' ' 512' ' ' GLU . . . -71.24 -15.65 74.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.71 -32.85 16.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' A' ' 514' ' ' ILE . 51.7 mt -83.5 -33.28 25.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . 0.484 ' HG3' ' N ' ' A' ' 513' ' ' LYS . 18.6 pt-20 -51.82 -53.35 41.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 512' ' ' GLU . 16.4 mttp -59.92 -55.07 38.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.979 ' HA ' HD12 ' A' ' 517' ' ' ILE . 91.4 mt -42.03 -38.46 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.084 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -62.12 -38.28 88.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.0 mtt -69.72 -40.85 76.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.979 HD12 ' HA ' ' A' ' 514' ' ' ILE . 21.5 mt -55.4 -47.95 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 519' ' ' LYS . 60.0 mtp180 -60.33 -58.47 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 518' ' ' ARG . 30.4 mtpt -37.6 -57.78 0.93 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 520' ' ' ARG . 14.3 mtp-105 -48.79 -43.89 38.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.15 -61.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -41.14 154.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 15.6 m -80.03 100.78 8.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -122.55 145.9 16.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 143.56 51.21 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 3.2 t -70.11 158.68 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 38.0 t -140.76 121.41 14.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 90.4 p -147.64 147.95 30.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 0.0 110.872 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 2.2 t -133.69 138.43 45.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.843 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -40.91 101.56 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 48.8 m -104.31 116.57 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 30.4 m -89.42 137.63 32.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -169.54 -179.19 41.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 48.0 pttt -103.24 126.25 50.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.778 0.323 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 26.6 t -157.5 138.94 9.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.66 0.743 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 176.49 6.63 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.655 2.237 . . . . 0.0 112.394 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 4.7 t -133.79 154.93 50.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 162.63 162.93 14.25 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.482 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -93.13 150.47 20.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -123.86 151.62 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -124.29 132.21 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 88.7 p -78.22 89.52 4.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -49.67 -57.25 7.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 79.6 p -55.41 129.1 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.83 -60.06 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.432 ' N ' ' CD ' ' A' ' 425' ' ' PRO . 2.0 t 74.36 54.92 0.26 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.686 0.755 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . 0.432 ' CD ' ' N ' ' A' ' 424' ' ' SER . 54.0 Cg_endo -69.79 -37.19 9.45 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -103.89 143.47 32.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -112.0 145.99 38.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -110.44 -52.28 2.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.065 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -154.94 -146.33 4.4 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 481' ' ' GLU . 30.5 m-85 -133.81 98.01 4.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.883 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 69.3 m -131.55 175.2 9.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.93 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.47 135.47 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.781 ' CD1' ' CE1' ' A' ' 475' ' ' PHE . 6.0 t80 -99.43 124.65 44.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.992 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.43 139.02 49.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.522 ' HD3' ' CE2' ' A' ' 433' ' ' TYR . 36.8 mtmm -135.82 119.97 17.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 138.96 -23.04 2.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 436' ' ' GLY . 57.1 mt -34.16 151.15 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.596 0.712 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.634 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.71 166.25 28.18 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.268 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -64.46 -44.27 91.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -99.41 35.81 1.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.634 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -62.81 168.98 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.108 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 445' ' ' HIS . 29.4 mt-10 -154.8 153.15 30.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -37.09 -41.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -56.98 -46.46 82.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 442' ' ' GLU . 60.3 m80 -54.12 -45.38 71.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 76.3 t -67.2 -46.51 84.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 94.3 mt -51.04 -63.2 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -44.36 -52.85 7.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.546 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.8 t80 -38.77 -46.79 1.3 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.85 ' HB3' HD12 ' A' ' 453' ' ' LEU . 23.2 m-85 -106.59 47.89 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -58.2 156.65 9.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 453' ' ' LEU . 0.4 OUTLIER 63.3 35.16 12.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.85 HD12 ' HB3' ' A' ' 450' ' ' PHE . 35.8 mt -143.55 164.74 29.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.75 100.37 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.783 HG23 HG13 ' A' ' 476' ' ' VAL . 34.4 mt -117.02 110.53 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 457' ' ' GLU . 43.6 t -62.1 96.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 456' ' ' VAL . 5.5 mp0 -34.12 -37.23 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 459' ' ' SER . 26.2 t70 -69.69 -64.47 0.88 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.8 p -34.83 -53.7 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.551 HG12 HG22 ' A' ' 476' ' ' VAL . 16.9 mt -33.65 122.07 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.477 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.2 t80 -135.92 125.43 25.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 91.7 mt -121.58 132.7 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.157 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -81.88 137.15 35.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.071 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -123.8 140.97 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.22 168.66 54.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -15.64 37.22 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -97.33 15.27 23.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 69.39 39.27 80.82 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -134.91 117.39 15.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -47.53 117.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.101 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 16.9 p -60.53 -34.26 73.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 113.49 27.38 3.62 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.534 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -124.09 109.06 13.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.02 159.65 14.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.47 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.781 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 73.9 m-85 -144.25 137.2 27.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.783 HG13 HG23 ' A' ' 455' ' ' ILE . 9.8 t -134.74 150.1 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -125.75 122.64 36.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.404 ' O ' ' C ' ' A' ' 479' ' ' ARG . 80.6 m-85 -93.03 106.36 18.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.422 ' HG3' ' CG2' ' A' ' 456' ' ' VAL . 51.6 mtt180 -37.61 -50.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -89.8 164.72 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 30.4 tt0 -95.02 -39.83 9.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -50.23 -52.82 32.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -65.24 -39.8 93.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -48.9 -47.23 43.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -54.89 -50.63 68.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.938 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -51.3 -45.57 62.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.062 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -46.7 -48.37 20.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.096 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 504' ' ' PRO . 4.0 mm? -51.64 -49.22 62.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 20.1 t -54.33 -18.77 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.51 41.51 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.486 ' CD2' ' HB2' ' A' ' 492' ' ' LYS . 59.5 t60 -84.94 156.14 21.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.486 ' HB2' ' CD2' ' A' ' 491' ' ' HIS . 9.8 ttmm 60.32 44.78 11.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 30.4 mm-40 -101.61 151.39 22.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 76.5 m-85 -111.94 124.91 53.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.688 ' HB2' HD13 ' A' ' 500' ' ' ILE . 12.0 tpp -81.75 85.38 6.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 67.85 -73.66 0.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -125.76 -26.88 3.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . 0.417 ' HA ' ' NE ' ' A' ' 498' ' ' ARG . 3.5 mmp_? -88.16 175.51 7.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.63 ' C ' HD12 ' A' ' 500' ' ' ILE . 60.8 t80 -127.87 136.81 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.688 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.7 mp -130.66 151.34 35.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -111.24 140.54 45.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 88.0 t -105.57 134.48 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.124 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -150.06 126.73 5.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.635 0.731 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . 0.538 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.3 Cg_endo -69.75 130.37 19.23 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.296 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 14.8 tt -139.61 141.8 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 23.4 p -63.65 160.22 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.402 ' HE2' HD11 ' A' ' 511' ' ' LEU . 0.4 OUTLIER -59.75 -48.78 80.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -60.93 -51.25 70.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -54.76 -41.21 74.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . 0.416 ' HG3' ' CD1' ' A' ' 475' ' ' PHE . 38.5 ttp -61.95 -48.63 79.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.641 ' HA ' HD12 ' A' ' 514' ' ' ILE . 95.0 mt -62.39 -45.36 93.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -43.97 -53.14 6.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 516' ' ' MET . 5.4 mtpm? -58.59 -56.98 15.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.691 ' HA ' HD12 ' A' ' 517' ' ' ILE . 72.2 mt -39.69 -42.78 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -60.85 -40.69 93.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 513' ' ' LYS . 25.0 mtm -64.97 -39.1 92.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.691 HD12 ' HA ' ' A' ' 514' ' ' ILE . 17.8 mt -64.46 -49.15 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . 0.437 ' HD2' HG22 ' A' ' 514' ' ' ILE . 15.6 mtt-85 -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -65.56 -56.3 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -53.46 -39.42 64.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.836 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.42 -46.83 84.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -43.68 166.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 32.7 m -109.65 -47.05 3.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 173.84 63.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 102.4 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 54.0 m -153.24 136.17 15.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 12.8 m -138.64 131.37 29.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 6.9 t -146.28 124.0 11.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.838 0.352 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 81.8 p -102.04 140.62 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -157.01 146.85 14.41 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 33.5 t -113.98 -49.77 2.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 14.0 t -61.05 117.08 5.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 166.99 38.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 45.6 mmtt -120.01 134.64 55.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 24.8 p -52.29 143.15 26.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.657 0.741 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.51 Favored 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.74 2.293 . . . . 0.0 112.345 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 84.5 p 47.63 52.79 12.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . -131.58 92.83 0.29 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -174.73 149.82 1.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.928 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 2.3 pttm -103.39 173.35 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -103.31 136.14 43.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 86.3 p -120.02 117.78 28.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -139.26 158.29 44.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 2.2 m -135.53 172.22 13.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 24.6 ttp85 -84.58 41.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . . . . . . . . . 55.9 p -171.29 144.07 1.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.675 0.75 . . . . 0.0 110.882 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 115.99 4.35 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -109.19 -61.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 51.38 52.0 15.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . 0.485 ' HB1' ' CB ' ' A' ' 507' ' ' LYS . . . -142.84 166.97 23.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.036 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . -80.87 -142.8 3.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.437 ' HB3' ' CD1' ' A' ' 484' ' ' TYR . 10.8 m-85 -130.95 113.82 14.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.866 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 96.1 m -128.93 173.83 10.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.455 ' CG2' ' HB ' ' A' ' 476' ' ' VAL . 2.7 m -142.82 133.9 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 435' ' ' LYS . 5.2 t80 -101.54 113.67 27.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.688 HD22 HG21 ' A' ' 500' ' ' ILE . 35.1 mt -100.57 127.84 46.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 433' ' ' TYR . 20.5 mtpt -126.28 117.37 22.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . . . . . . . . . . . 135.48 -11.41 4.34 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 87.3 mt -39.9 147.89 0.33 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.617 0.723 . . . . 0.0 110.902 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 169.09 19.8 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -66.22 -36.57 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -96.03 22.89 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -52.58 147.77 8.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -145.16 162.87 36.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -49.39 -29.53 6.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 20.3 pttt -69.42 -45.07 70.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.882 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.466 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 42.7 m80 -55.8 -47.13 77.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 460' ' ' ILE . 59.4 t -56.07 -38.61 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.141 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . . . . . . . . . 66.6 mt -66.24 -53.25 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.109 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 451' ' ' LYS . 4.8 t70 -49.97 -31.31 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -70.68 -48.38 55.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.462 ' CB ' HD11 ' A' ' 455' ' ' ILE . 19.0 m-85 -106.45 50.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 448' ' ' ASP . 1.1 mmmp? -70.18 179.67 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 23.8 mttt 52.59 26.01 4.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 483' ' ' ASP . 26.2 mt -141.69 171.31 14.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -99.36 114.72 27.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.83 HG23 HG13 ' A' ' 476' ' ' VAL . 61.0 mt -129.96 128.64 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.1 t -71.41 100.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -37.2 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 456' ' ' VAL . 1.5 m-20 -74.85 -53.28 9.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.944 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 460' ' ' ILE . 54.4 p -47.35 -53.1 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.509 HG23 HG11 ' A' ' 446' ' ' VAL . 2.1 mt -35.97 101.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.113 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.488 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 2.6 t80 -113.67 136.03 53.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . . . . . . . . . 75.5 mt -133.28 128.83 56.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.49 31.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.077 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -133.16 119.73 20.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -49.31 170.43 0.12 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -28.65 25.11 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -71.49 -4.15 25.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 84.41 45.76 6.05 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -143.99 139.76 29.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.0 112.2 1.43 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . . . . . . . . . 19.1 p -57.49 -25.65 60.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 104.81 31.6 4.43 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.531 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -138.38 139.95 39.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.378 . . . . 0.0 110.893 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -151.7 169.92 31.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.445 ' CE1' ' CD1' ' A' ' 433' ' ' TYR . 30.0 m-85 -144.74 144.45 31.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.83 HG13 HG23 ' A' ' 455' ' ' ILE . 13.5 t -139.8 141.69 33.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -119.88 118.14 29.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -88.35 115.22 25.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -43.28 -73.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -67.67 170.61 7.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -99.89 -28.15 13.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -65.9 -24.15 66.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.401 ' HB2' HD22 ' A' ' 453' ' ' LEU . 17.3 p-10 -93.6 -19.33 21.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.437 ' CD1' ' HB3' ' A' ' 430' ' ' PHE . 8.2 t80 -71.68 -38.87 70.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -67.0 -36.36 81.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.11 93.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.31 68.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -48.91 -31.34 7.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 7.6 t -56.6 -40.58 75.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.685 ' O ' HG21 ' A' ' 502' ' ' VAL . 18.5 mtp180 -78.48 72.47 5.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.524 ' CG ' ' N ' ' A' ' 492' ' ' LYS . 77.4 t60 -105.77 168.38 9.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.524 ' N ' ' CG ' ' A' ' 491' ' ' HIS . 0.0 OUTLIER 29.48 49.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . . . . . . . . . 37.5 mm-40 -100.94 163.07 12.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -99.98 112.76 25.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.595 ' CB ' HD13 ' A' ' 500' ' ' ILE . 24.8 tpp -77.15 84.37 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 70.07 -79.32 0.39 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -130.32 9.06 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 13.4 mmm180 -126.67 179.28 5.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.74 ' C ' HD12 ' A' ' 500' ' ' ILE . 58.9 t80 -122.99 129.14 51.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.867 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.74 HD12 ' C ' ' A' ' 499' ' ' PHE . 2.0 mp -128.21 139.83 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.09 131.56 48.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.685 HG21 ' O ' ' A' ' 490' ' ' ARG . 61.1 t -98.87 117.0 43.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -133.61 125.93 18.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 132.67 23.89 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.713 2.276 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.5 tt -134.65 150.18 30.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.32 158.73 16.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.496 ' CD ' ' O ' ' A' ' 507' ' ' LYS . 2.2 tmtm? -78.55 -8.77 58.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 508' ' ' LYS . 1.4 ttpm? -95.46 -56.83 2.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -59.0 -37.38 91.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.485 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 37.3 ttp -56.2 -50.14 72.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.4 -35.83 80.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -56.19 -42.99 78.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -65.92 -46.47 78.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.788 ' HA ' HD12 ' A' ' 517' ' ' ILE . 87.2 mt -46.66 -37.45 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -68.57 -40.08 80.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 3.0 mtt -65.91 -39.1 90.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 514' ' ' ILE . 20.2 mt -59.23 -37.66 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 43.4 mtp85 -62.71 -49.91 73.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -44.15 -59.94 2.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -40.26 -44.62 1.93 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.839 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 64.2 mt -72.0 -54.54 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -49.18 152.51 1.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 1.4 t -81.12 -60.08 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . -156.09 146.52 14.18 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 129.14 17.05 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.263 . . . . 0.0 112.351 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 45.6 t -110.78 111.23 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 3.3 t -122.24 -53.6 1.92 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 8.6 t -169.92 149.61 3.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.924 0.392 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 58.9 p -133.51 174.6 10.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -160.12 138.66 5.67 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 3.7 t -110.66 175.17 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.897 0.38 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 20.7 m -162.03 149.5 14.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.95 63.82 0.4 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -91.27 37.45 0.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.784 0.326 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . . . . . . . . . 57.5 p -115.37 81.36 8.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.829 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 117.49 5.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.347 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 64.0 p -133.7 113.07 11.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 119.86 67.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -83.77 40.28 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 41.93 16.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.96 153.38 8.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 2.2 m -70.86 119.31 14.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -120.12 147.07 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 83.9 p -171.09 126.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -113.06 -53.87 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 425' ' ' PRO . 0.8 OUTLIER -73.08 -61.01 1.62 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.669 0.747 . . . . 0.0 110.857 -179.795 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 424' ' ' SER . 53.8 Cg_endo -69.71 103.97 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -81.72 -49.85 9.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -173.78 124.4 0.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -139.34 113.33 8.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.119 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 45.5 -169.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . 0.512 ' CD1' ' CD2' ' A' ' 484' ' ' TYR . 18.7 m-85 -121.77 103.22 8.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.88 0.372 . . . . 0.0 110.817 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 83.3 m -128.21 138.48 52.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 2.4 m -115.4 131.42 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.448 ' CZ ' ' CG ' ' A' ' 435' ' ' LYS . 3.7 t80 -95.66 121.09 37.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.513 HD11 ' CE2' ' A' ' 450' ' ' PHE . 36.0 mt -109.44 131.07 55.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . 0.448 ' CG ' ' CZ ' ' A' ' 433' ' ' TYR . 55.3 mtmt -128.45 122.98 32.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.424 ' C ' HG13 ' A' ' 500' ' ' ILE . . . 130.63 -13.19 5.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . . . . . . . . . 69.8 mt -39.38 151.37 0.22 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.729 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.643 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.0 Cg_endo -69.78 169.39 19.04 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.325 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . 0.522 ' CD1' ' HD3' ' A' ' 469' ' ' LYS . 77.1 m-85 -69.96 -42.43 73.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -96.37 27.29 3.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.643 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -56.37 159.47 3.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -148.56 156.28 42.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -44.98 -32.42 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.679 ' HA ' HD12 ' A' ' 447' ' ' ILE . 29.6 pttt -67.98 -37.59 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -64.64 -45.73 85.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.44 -40.22 87.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.679 HD12 ' HA ' ' A' ' 444' ' ' LYS . 42.7 mt -56.29 -58.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -49.59 -51.15 39.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.618 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 60.3 t80 -39.68 -45.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.645 ' HB3' HD12 ' A' ' 453' ' ' LEU . 25.1 m-85 -110.66 47.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -54.48 174.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 50.62 38.63 19.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 450' ' ' PHE . 64.8 mt -147.03 164.44 33.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.7 102.28 12.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.743 HG23 HG13 ' A' ' 476' ' ' VAL . 73.1 mt -115.06 135.91 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.441 ' O ' ' N ' ' A' ' 458' ' ' ASP . 3.2 t -80.0 98.89 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 456' ' ' VAL . 24.4 mt-10 -36.76 -32.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.812 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 456' ' ' VAL . 0.1 OUTLIER -70.55 -51.65 27.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 460' ' ' ILE . 52.7 p -52.88 -52.67 56.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 459' ' ' SER . 8.9 mt -34.23 101.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.609 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 5.7 t80 -114.09 139.49 49.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.976 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 61.6 mt -133.77 127.69 52.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.12 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' ' 517' ' ' ILE . . . -82.56 135.31 35.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.07 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -128.29 132.52 48.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -65.68 179.96 9.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -15.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.43 25.81 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 56.71 25.56 51.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.51 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . 0.522 ' HD3' ' CD1' ' A' ' 439' ' ' PHE . 26.2 mttp -115.94 163.2 16.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 438' ' ' PRO . . . -86.65 114.43 23.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 471' ' ' THR . 8.7 p -53.87 -35.24 61.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.161 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 115.18 23.29 4.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -128.31 116.36 19.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 110.923 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -126.43 165.02 19.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -141.28 139.34 33.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 0.0 110.852 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.743 HG13 HG23 ' A' ' 455' ' ' ILE . 20.0 t -136.05 133.33 50.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -113.86 117.46 31.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.456 ' CE1' HG12 ' A' ' 455' ' ' ILE . 80.9 m-85 -86.58 138.64 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 57.6 mtt180 -64.22 -72.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -67.34 172.65 4.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.426 ' HB2' ' CE2' ' A' ' 430' ' ' PHE . 58.6 tt0 -98.43 -38.58 9.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -54.11 -40.4 67.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.429 ' HB2' ' CD2' ' A' ' 453' ' ' LEU . 6.3 p-10 -78.93 -25.24 43.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.512 ' CD2' ' CD1' ' A' ' 430' ' ' PHE . 0.5 OUTLIER -62.11 -37.4 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 -179.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -69.41 -45.18 69.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . 0.42 ' HB3' HD21 ' A' ' 453' ' ' LEU . . . -53.02 -31.86 43.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . . . . . . . . . . . -56.95 -43.41 81.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.02 -30.92 71.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.77 -7.52 28.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -102.56 36.29 2.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . 0.482 ' CD2' ' HG3' ' A' ' 492' ' ' LYS . 16.0 t60 -76.44 150.17 36.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . 0.482 ' HG3' ' CD2' ' A' ' 491' ' ' HIS . 45.7 mttt 65.06 48.91 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.484 ' HB2' ' CE1' ' A' ' 449' ' ' PHE . 21.7 mm-40 -104.24 156.9 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 28.7 m-85 -115.44 139.61 49.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.618 ' HE1' ' HB2' ' A' ' 449' ' ' PHE . 6.4 tpp -100.3 81.11 2.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 71.61 -77.26 0.64 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -128.17 5.99 5.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -119.34 172.04 7.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 494' ' ' TYR . 76.7 t80 -129.44 130.36 45.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.3 mp -123.16 149.29 26.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -108.07 134.01 51.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.69 127.95 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 50.0 m-70 -140.94 124.67 10.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.615 0.722 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 132.36 23.19 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 17.9 tt -140.21 159.54 25.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 18.6 p -89.28 141.1 28.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . 0.736 ' HE2' HD11 ' A' ' 511' ' ' LEU . 2.1 tmtp? -39.08 -55.11 1.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -48.74 67.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -65.64 -27.23 72.42 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . . . . . . . . . 33.8 ttp -69.36 -40.45 77.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.736 HD11 ' HE2' ' A' ' 507' ' ' LYS . 54.9 mt -74.57 -39.64 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -40.34 -51.45 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 515' ' ' ASP . 88.6 mttt -66.91 -59.71 3.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 517' ' ' ILE . 74.0 mt -38.06 -29.15 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 513' ' ' LYS . 3.8 t70 -74.9 -51.08 14.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . . . . . . . . . 2.0 ptt? -63.81 -33.38 75.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 514' ' ' ILE . 50.1 mt -62.85 -43.28 98.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -64.09 -41.94 97.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -48.0 -31.21 5.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -73.03 -37.18 66.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 522' ' ' GLN . 32.3 mt -80.75 -58.45 3.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . 0.465 ' CG ' ' N ' ' A' ' 523' ' ' SER . 1.0 OUTLIER -37.13 -45.66 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 522' ' ' GLN . 91.2 p -49.27 145.17 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 111.22 152.05 12.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.461 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 98.05 0.67 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.683 2.255 . . . . 0.0 112.37 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . . . . . . . . . 5.1 m 56.67 50.02 13.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 18.4 m 53.28 43.66 31.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.518 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' SER . . . . . . . . . . . . . 3.4 m -110.95 -43.72 3.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' SER . . . . . . . . . . . . . 74.2 m -84.76 133.84 34.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' GLY . . . . . . . . . . . . . . . -154.37 -157.93 8.41 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' SER . . . . . . . . . . . . . 96.3 p -123.58 127.38 48.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 10.3 t -117.09 143.2 46.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 84.68 118.71 0.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.508 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -113.7 164.88 13.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' SER . . . . . 0.448 ' N ' ' CD ' ' A' ' 414' ' ' PRO . 68.3 p 44.26 54.16 11.63 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' PRO . . . . . 0.448 ' CD ' ' N ' ' A' ' 413' ' ' SER . 53.9 Cg_endo -69.77 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.668 2.246 . . . . 0.0 112.363 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' SER . . . . . . . . . . . . . 8.1 t -165.56 170.4 14.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLY . . . . . . . . . . . . . . . 167.08 177.91 39.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.529 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -117.27 42.24 2.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.943 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -80.54 -47.26 14.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.85 51.28 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 13.3 p -77.49 -50.04 13.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' ARG . . . . . . . . . . . . . 37.5 mtt-85 -144.97 163.94 32.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.847 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' SER . . . . . . . . . . . . . 15.0 t -76.63 -59.36 2.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -159.01 163.56 36.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' SER . . . . . 0.441 ' HB3' ' CD2' ' A' ' 426' ' ' HIS . 1.6 t -101.4 127.58 31.27 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.864 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -18.53 36.76 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 426' ' ' HIS . 0.1 OUTLIER -52.79 140.85 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -121.75 10.85 10.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -76.75 59.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLY . . . . . . . . . . . . . . . 52.53 -165.45 1.41 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -131.5 100.17 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.803 0.335 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' CYS . . . . . . . . . . . . . 58.0 m -128.49 159.14 36.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 3.4 m -130.98 137.32 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.074 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' TYR . . . . . 0.741 ' CD1' ' CE2' ' A' ' 475' ' ' PHE . 10.4 t80 -101.78 130.39 48.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 450' ' ' PHE . 32.0 mt -120.23 138.81 53.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -136.25 119.66 16.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 437' ' ' LEU . . . 136.7 -21.46 3.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.46 HD23 HG12 ' A' ' 500' ' ' ILE . 94.4 mt -34.33 151.52 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 110.861 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' PRO . . . . . 0.592 ' HG2' ' HB2' ' A' ' 441' ' ' ALA . 54.1 Cg_endo -69.77 164.15 35.62 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.333 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -67.95 -37.65 81.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -100.51 34.28 2.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . 0.592 ' HB2' ' HG2' ' A' ' 438' ' ' PRO . . . -64.29 171.92 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -157.38 158.71 36.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -41.87 -40.81 2.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 445' ' ' HIS . 26.8 pttt -58.97 -47.09 86.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' HIS . . . . . 0.404 ' N ' ' HG3' ' A' ' 444' ' ' LYS . 36.2 m80 -48.97 -45.54 42.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' VAL . . . . . 0.461 HG11 HG23 ' A' ' 460' ' ' ILE . 91.8 t -64.17 -43.69 97.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 451' ' ' LYS . 96.6 mt -55.78 -55.54 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -50.53 -41.92 54.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' PHE . . . . . 0.529 ' HB2' ' HE1' ' A' ' 495' ' ' MET . 2.7 t80 -58.18 -40.74 82.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' PHE . . . . . 0.59 ' HB2' HD11 ' A' ' 455' ' ' ILE . 21.3 m-85 -121.18 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 447' ' ' ILE . 5.4 ptpt -59.42 172.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LYS . . . . . . . . . . . . . 65.1 mttm 53.92 37.2 26.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.724 HD22 ' HB2' ' A' ' 483' ' ' ASP . 69.9 mt -145.85 176.18 9.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.38 95.44 8.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' ILE . . . . . 0.627 HG23 HG13 ' A' ' 476' ' ' VAL . 64.5 mt -121.62 113.83 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 458' ' ' ASP . 2.7 t -63.01 100.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -38.19 -27.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 456' ' ' VAL . 4.3 m-20 -75.91 -47.89 23.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 456' ' ' VAL . 59.5 p -55.08 -49.21 72.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ILE . . . . . 0.461 HG23 HG11 ' A' ' 446' ' ' VAL . 2.6 mt -38.01 106.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.119 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' TYR . . . . . 0.606 ' CZ ' HG23 ' A' ' 514' ' ' ILE . 7.1 t80 -122.33 142.98 49.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' ILE . . . . . 0.441 ' N ' ' CD1' ' A' ' 461' ' ' TYR . 92.7 mt -137.11 136.1 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -82.22 142.57 32.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.085 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' TYR . . . . . 0.417 ' C ' HG23 ' A' ' 471' ' ' THR . 64.0 m-85 -131.49 150.04 52.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -87.77 -179.85 47.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -18.12 37.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.703 2.269 . . . . 0.0 112.331 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -93.78 36.43 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 47.71 39.71 17.08 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -124.67 177.32 6.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.915 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -98.88 116.35 30.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' THR . . . . . 0.417 HG23 ' C ' ' A' ' 464' ' ' TYR . 40.4 p -55.15 -40.4 70.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 118.85 27.15 2.36 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -131.41 114.6 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' GLY . . . . . . . . . . . . . . . -119.58 162.51 13.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' PHE . . . . . 0.741 ' CE2' ' CD1' ' A' ' 433' ' ' TYR . 22.5 m-85 -144.26 140.61 29.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.627 HG13 HG23 ' A' ' 455' ' ' ILE . 8.7 t -137.21 148.03 26.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -125.93 120.94 31.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 487' ' ' ALA . 74.0 m-85 -93.86 112.09 23.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 10.5 mtp-105 -46.7 -44.46 18.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.93 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -89.32 168.61 12.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -99.87 -36.54 9.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ALA . . . . . . . . . . . . . . . -57.28 -47.57 81.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' ASP . . . . . 0.724 ' HB2' HD22 ' A' ' 453' ' ' LEU . 3.5 p-10 -69.4 -33.91 73.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.89 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' TYR . . . . . 0.539 ' CE1' HD21 ' A' ' 488' ' ' LEU . 5.1 t80 -54.41 -50.78 66.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -52.16 -40.73 61.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' ALA . . . . . . . . . . . . . . . -57.07 -51.96 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ALA . . . . . 0.515 ' HB2' ' CE2' ' A' ' 478' ' ' PHE . . . -42.69 -43.62 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.09 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' LEU . . . . . 0.539 HD21 ' CE1' ' A' ' 484' ' ' TYR . 3.4 mm? -57.72 -35.34 70.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' CYS . . . . . . . . . . . . . 36.4 t -71.16 -3.28 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 449' ' ' PHE . 12.5 mmm180 -86.78 17.69 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -68.51 151.03 47.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt 62.34 52.16 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLN . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 449' ' ' PHE . 34.6 mm-40 -119.68 147.36 44.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' TYR . . . . . 0.509 ' CE2' ' HB2' ' A' ' 499' ' ' PHE . 30.8 m-85 -110.89 119.36 38.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' MET . . . . . 0.755 ' HB2' HD13 ' A' ' 500' ' ' ILE . 19.3 tpp -74.6 84.49 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' GLY . . . . . . . . . . . . . . . 73.31 -78.9 0.8 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.526 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -126.1 -11.6 6.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.35 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -103.97 172.41 6.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' PHE . . . . . 0.605 ' C ' HD12 ' A' ' 500' ' ' ILE . 77.6 t80 -121.59 138.05 54.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.755 HD13 ' HB2' ' A' ' 495' ' ' MET . 3.6 mp -133.89 135.38 55.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.122 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -91.82 142.71 27.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' VAL . . . . . 0.466 HG22 HD21 ' A' ' 434' ' ' LEU . 87.6 t -110.83 132.39 59.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -151.93 133.8 8.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.605 0.717 . . . . 0.0 110.817 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' PRO . . . . . 0.516 ' HB3' HD11 ' A' ' 488' ' ' LEU . 53.6 Cg_endo -69.72 138.0 36.93 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ILE . . . . . . . . . . . . . 18.4 tt -143.28 145.55 22.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.152 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' THR . . . . . . . . . . . . . 61.3 p -72.34 152.06 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -55.5 -47.63 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -60.84 -60.23 4.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -50.12 -39.24 33.95 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' MET . . . . . 0.516 ' HG3' ' CD2' ' A' ' 475' ' ' PHE . 42.0 ttp -59.91 -45.65 91.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.329 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' A' ' 514' ' ' ILE . 37.8 mt -62.6 -43.54 98.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -38.28 -55.14 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 514' ' ' ILE . 48.3 mttp -64.77 -59.67 3.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ILE . . . . . 0.836 ' HA ' HD12 ' A' ' 517' ' ' ILE . 84.3 mt -35.78 -36.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.47 -50.49 67.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' MET . . . . . 0.433 ' HG3' ' N ' ' A' ' 517' ' ' ILE . 0.9 OUTLIER -65.39 -28.93 69.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 514' ' ' ILE . 61.5 mt -65.56 -44.21 93.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -70.05 -57.67 4.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -45.71 14.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' ARG . . . . . . . . . . . . . 27.2 mtp85 -50.25 -48.67 54.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.91 -46.09 58.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -60.62 122.29 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' SER . . . . . . . . . . . . . 83.9 p -104.67 134.5 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' GLY . . . . . . . . . . . . . . . 178.84 173.16 43.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 526' ' ' SER . 54.4 Cg_endo -69.66 2.68 3.26 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.729 2.286 . . . . 0.0 112.346 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 525' ' ' PRO . 3.3 m -34.43 -52.94 0.5 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' SER . . . . . . . . . . . . . 80.2 p -90.64 105.22 17.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.96 . . . . . . . . 0 0 . 1 stop_ save_